3,3-diamino-1,2-dihydroinden-5-ol

C9H12N2O — CID 66833532

IUPAC3,3-diamino-1,2-dihydroinden-5-ol
SMILESNC1(N)CCc2ccc(O)cc21
InChIInChI=1S/C9H12N2O/c10-9(11)4-3-6-1-2-7(12)5-8(6)9/h1-2,5,12H,3-4,10-11H2
InChIKeyRGCPLFOVVJGOGW-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.41
Rot. Bonds

About 3,3-diamino-1,2-dihydroinden-5-ol

3,3-diamino-1,2-dihydroinden-5-ol (PubChem CID 66833532) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 3,3-diamino-1,2-dihydroinden-5-ol.

Molecular Properties

Compound Name3,3-diamino-1,2-dihydroinden-5-ol
PubChem CID66833532
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name3,3-diamino-1,2-dihydroinden-5-ol
SMILESNC1(N)CCc2ccc(O)cc21
InChIInChI=1S/C9H12N2O/c10-9(11)4-3-6-1-2-7(12)5-8(6)9/h1-2,5,12H,3-4,10-11H2
InChIKeyRGCPLFOVVJGOGW-UHFFFAOYSA-N
XLogP0.41
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-hydroxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 14598198
3-(aminomethyl)-3-methyl-1,2-dihydroinden-5-ol
CID 84717952
6-amino-6-(hydroxymethyl)-7,8-dihydro-5H-naphthalen-2-ol
CID 13177868
(2'R,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 89082538
4-amino-3-(1-aminocyclopropyl)phenol
CID 115012955
methanol;2'-methylspiro[1,2-dihydroindene-3,1'-cyclopropane]-5-ol
CID 143977527
2,6-dihydroxy-3,4-dihydro-1H-naphthalene-2-carbaldehyde
CID 105445825
(2'S,3R)-2'-methylspiro[1,2-dihydroindene-3,1'-cyclobutane]-5-ol
CID 143977501
5-hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1'-one
CID 166172267
2-(aminomethyl)-3,4-dihydro-1H-naphthalene-2,7-diol
CID 105447110
spiro[1,3-dihydroindene-2,6'-7,8-dihydro-5H-naphthalene]-2'-ol
CID 91293729
1,7-dihydroxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 105461504

Frequently Asked Questions

What is the IUPAC name of 3,3-diamino-1,2-dihydroinden-5-ol?
The IUPAC name of 3,3-diamino-1,2-dihydroinden-5-ol (CID 66833532) is 3,3-diamino-1,2-dihydroinden-5-ol.
What is the SMILES notation for 3,3-diamino-1,2-dihydroinden-5-ol?
The canonical SMILES for 3,3-diamino-1,2-dihydroinden-5-ol is NC1(N)CCc2ccc(O)cc21.
What is the InChIKey of 3,3-diamino-1,2-dihydroinden-5-ol?
The InChIKey is RGCPLFOVVJGOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-9(11)4-3-6-1-2-7(12)5-8(6)9/h1-2,5,12H,3-4,10-11H2.
What are the key properties of 3,3-diamino-1,2-dihydroinden-5-ol?
3,3-diamino-1,2-dihydroinden-5-ol has a molecular weight of 164.21 g/mol, XLogP of 0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diamino-1,2-dihydroinden-5-ol is sourced from PubChem (CID 66833532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).