1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol

C19H21N3O6 — CID 54498060

IUPAC1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
SMILESCC1c2cc([N+](=O)[O-])ccc2CC1O.NC1c2cc([N+](=O)[O-])ccc2CC1O
InChIInChI=1S/C10H11NO3.C9H10N2O3/c1-6-9-5-8(11(13)14)3-2-7(9)4-10(6)12;10-9-7-4-6(11(13)14)2-1-5(7)3-8(9)12/h2-3,5-6,10,12H,4H2,1H3;1-2,4,8-9,12H,3,10H2
InChIKeyYANCXWITHZQGNH-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.13
Rot. Bonds2

About 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol

1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol (PubChem CID 54498060) has the molecular formula C19H21N3O6 and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
PubChem CID54498060
Molecular FormulaC19H21N3O6
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
SMILESCC1c2cc([N+](=O)[O-])ccc2CC1O.NC1c2cc([N+](=O)[O-])ccc2CC1O
InChIInChI=1S/C10H11NO3.C9H10N2O3/c1-6-9-5-8(11(13)14)3-2-7(9)4-10(6)12;10-9-7-4-6(11(13)14)2-1-5(7)3-8(9)12/h2-3,5-6,10,12H,4H2,1H3;1-2,4,8-9,12H,3,10H2
InChIKeyYANCXWITHZQGNH-UHFFFAOYSA-N
XLogP2.13
TPSA152.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 21338542
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 59952045
2-methyl-6-nitro-2,3-dihydro-1H-inden-1-ol
CID 142039244
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
tert-butyl N-[(1S,2S)-2-hydroxy-6-nitro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 67280728
(3R,4S)-4-amino-2,2-dimethyl-7-nitro-3,4-dihydrochromen-3-ol
CID 54090204
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
2-methyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-one
CID 81415080
1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
CID 45043194
3,3-dimethyl-6-nitro-1,2-dihydroinden-1-amine
CID 19365901

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol (CID 54498060) is 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol is CC1c2cc([N+](=O)[O-])ccc2CC1O.NC1c2cc([N+](=O)[O-])ccc2CC1O.
What is the InChIKey of 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
The InChIKey is YANCXWITHZQGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.C9H10N2O3/c1-6-9-5-8(11(13)14)3-2-7(9)4-10(6)12;10-9-7-4-6(11(13)14)2-1-5(7)3-8(9)12/h2-3,5-6,10,12H,4H2,1H3;1-2,4,8-9,12H,3,10H2.
What are the key properties of 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol has a molecular weight of 387.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 54498060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).