(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine

C10H12N2O2 — CID 130969806

IUPAC(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1[N+](=O)[O-])[C@@H](N)CC2
InChIInChI=1S/C10H12N2O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12(13)14/h2-3,8H,4-5,11H2,1H3/t8-/m0/s1
InChIKeyXTFYBDVQFRNKRW-QMMMGPOBSA-N
MW192.22 g/mol
LogP1.85
Rot. Bonds1

About (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine

(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine (PubChem CID 130969806) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine
PubChem CID130969806
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1[N+](=O)[O-])[C@@H](N)CC2
InChIInChI=1S/C10H12N2O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12(13)14/h2-3,8H,4-5,11H2,1H3/t8-/m0/s1
InChIKeyXTFYBDVQFRNKRW-QMMMGPOBSA-N
XLogP1.85
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.85
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

(1S)-6-nitro-2,3-dihydro-1H-indene-1,7-diamine
CID 130657856
(1R)-6-methyl-2,3-dihydro-1H-indene-1,7-diamine
CID 130682325
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
6-methyl-5-nitro-1,2,3,4-tetrahydronaphthalene
CID 12835978
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
sodium 3,6-dimethyl-2-nitrobenzenesulfinate
CID 165453903
(1S)-8-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130648464
4-methyl-3-nitrobenzene-1,2-diamine
CID 3639343
6-[(S)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
CID 131556344
6-[(R)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
CID 131475393

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine (CID 130969806) is (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1[N+](=O)[O-])[C@@H](N)CC2.
What is the InChIKey of (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XTFYBDVQFRNKRW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-2-3-7-4-5-8(11)9(7)10(6)12(13)14/h2-3,8H,4-5,11H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine?
(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 192.22 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130969806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).