(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol

C10H11NO3 — CID 59952045

IUPAC(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
SMILESC[C@@H]1c2cc([N+](=O)[O-])ccc2CC1O
InChIInChI=1S/C10H11NO3/c1-6-9-5-8(11(13)14)3-2-7(9)4-10(6)12/h2-3,5-6,10,12H,4H2,1H3/t6-,10?/m1/s1
InChIKeyAIYCUHPFSCWGAQ-ZMMDDIOLSA-N
MW193.20 g/mol
LogP1.62
Rot. Bonds1

About (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol

(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol (PubChem CID 59952045) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
PubChem CID59952045
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
SMILESC[C@@H]1c2cc([N+](=O)[O-])ccc2CC1O
InChIInChI=1S/C10H11NO3/c1-6-9-5-8(11(13)14)3-2-7(9)4-10(6)12/h2-3,5-6,10,12H,4H2,1H3/t6-,10?/m1/s1
InChIKeyAIYCUHPFSCWGAQ-ZMMDDIOLSA-N
XLogP1.62
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
1-amino-6-nitro-2,3-dihydro-1H-inden-2-ol;1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol
CID 54498060
2-methyl-6-nitro-2,3-dihydro-1H-inden-1-ol
CID 142039244
tert-butyl N-[(1S,2S)-2-hydroxy-6-nitro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 67280728
2-methyl-3-(2-methyl-5-nitrophenyl)cyclobutan-1-one
CID 81415080
7-nitro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11008778
3-nitro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 22391802
4-chloro-N-[(1R,2R)-2-hydroxy-6-nitro-2,3-dihydro-1H-inden-1-yl]butanamide
CID 134871769
(3S)-3-methyl-7-nitro-3,4-dihydro-2H-isoquinolin-1-one
CID 10798306
(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
CID 124630134
3,5-dimethyl-8-nitro-1,2,4,5-tetrahydro-3-benzazepine
CID 57437918
(3R)-3-methyl-7-nitro-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 132599419

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol (CID 59952045) is (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol is C[C@@H]1c2cc([N+](=O)[O-])ccc2CC1O.
What is the InChIKey of (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
The InChIKey is AIYCUHPFSCWGAQ-ZMMDDIOLSA-N. The full InChI is InChI=1S/C10H11NO3/c1-6-9-5-8(11(13)14)3-2-7(9)4-10(6)12/h2-3,5-6,10,12H,4H2,1H3/t6-,10?/m1/s1.
What are the key properties of (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol?
(1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol has a molecular weight of 193.20 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-6-nitro-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 59952045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).