5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine

C36H41Br2N7O2 — CID 172971576

IUPAC5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1c(Br)cc2c(c1Br)CCC2N.Nc1ccc2c(c1)CC/C2=N/O.Nc1ccc2c(c1)CCC2=O.Nc1ccc2c(c1)CCC2N
InChIInChI=1S/C9H10Br2N2.C9H10N2O.C9H12N2.C9H9NO/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13;10-7-2-3-8-6(5-7)1-4-9(8)11-12;2*10-7-2-3-8-6(5-7)1-4-9(8)11/h3,7H,1-2,12-13H2;2-3,5,12H,1,4,10H2;2-3,5,9H,1,4,10-11H2;2-3,5H,1,4,10H2/b;11-9-;;
InChIKeyISZYTKBLAYBKRT-TXDDRSRISA-N
MW763.58 g/mol
LogP6.75
Rot. Bonds

About 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine

5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 172971576) has the molecular formula C36H41Br2N7O2 and a molecular weight of 763.58 g/mol. Its IUPAC name is 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine
PubChem CID172971576
Molecular FormulaC36H41Br2N7O2
Molecular Weight763.58 g/mol
Exact Mass761.17
IUPAC Name5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1c(Br)cc2c(c1Br)CCC2N.Nc1ccc2c(c1)CC/C2=N/O.Nc1ccc2c(c1)CCC2=O.Nc1ccc2c(c1)CCC2N
InChIInChI=1S/C9H10Br2N2.C9H10N2O.C9H12N2.C9H9NO/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13;10-7-2-3-8-6(5-7)1-4-9(8)11-12;2*10-7-2-3-8-6(5-7)1-4-9(8)11/h3,7H,1-2,12-13H2;2-3,5,12H,1,4,10H2;2-3,5,9H,1,4,10-11H2;2-3,5H,1,4,10H2/b;11-9-;;
InChIKeyISZYTKBLAYBKRT-TXDDRSRISA-N
XLogP6.75
TPSA205.78 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.58
LogP ≤ 56.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine with MolForge

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Related Compounds

4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
CID 58962980
N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58963008
5-tert-butyl-2,3-dihydro-1H-inden-1-amine;5-tert-butyl-2,3-dihydroinden-1-one
CID 162255889
5-methyl-2,3-dihydro-1H-inden-1-amine;5-methyl-2,3-dihydroinden-1-one;hydrochloride
CID 67762900
4,7-diamino-3,4-dihydro-2H-naphthalen-1-one
CID 130040403
CID 158113717
CID 158113717
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
5-bromo-2,3-dihydroinden-1-one
CID 161015201
(1S)-4,6-dibromo-5-methoxy-2,3-dihydro-1H-inden-1-amine
CID 130706079
(1S)-1-amino-2,3-dihydro-1H-inden-5-ol;hydrochloride
CID 156588205
(NZ)-N-(5-tert-butyl-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 58826807
(3S)-3-amino-6-bromo-2,3-dihydro-1H-inden-5-ol
CID 130624664

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine (CID 172971576) is 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine is Nc1c(Br)cc2c(c1Br)CCC2N.Nc1ccc2c(c1)CC/C2=N/O.Nc1ccc2c(c1)CCC2=O.Nc1ccc2c(c1)CCC2N.
What is the InChIKey of 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is ISZYTKBLAYBKRT-TXDDRSRISA-N. The full InChI is InChI=1S/C9H10Br2N2.C9H10N2O.C9H12N2.C9H9NO/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13;10-7-2-3-8-6(5-7)1-4-9(8)11-12;2*10-7-2-3-8-6(5-7)1-4-9(8)11/h3,7H,1-2,12-13H2;2-3,5,12H,1,4,10H2;2-3,5,9H,1,4,10-11H2;2-3,5H,1,4,10H2/b;11-9-;;.
What are the key properties of 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine?
5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 763.58 g/mol, XLogP of 6.75, 0 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dihydroinden-1-one;(NZ)-N-(5-amino-2,3-dihydroinden-1-ylidene)hydroxylamine;4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine;2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 172971576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).