2-methyl-5-nitro-2,3-dihydroindol-1-amine

C9H11N3O2 — CID 154151667

IUPAC2-methyl-5-nitro-2,3-dihydroindol-1-amine
SMILESCC1Cc2cc([N+](=O)[O-])ccc2N1N
InChIInChI=1S/C9H11N3O2/c1-6-4-7-5-8(12(13)14)2-3-9(7)11(6)10/h2-3,5-6H,4,10H2,1H3
InChIKeyUTRXAJBYEMNDDX-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.22
Rot. Bonds1

About 2-methyl-5-nitro-2,3-dihydroindol-1-amine

2-methyl-5-nitro-2,3-dihydroindol-1-amine (PubChem CID 154151667) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-methyl-5-nitro-2,3-dihydroindol-1-amine.

Molecular Properties

Compound Name2-methyl-5-nitro-2,3-dihydroindol-1-amine
PubChem CID154151667
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name2-methyl-5-nitro-2,3-dihydroindol-1-amine
SMILESCC1Cc2cc([N+](=O)[O-])ccc2N1N
InChIInChI=1S/C9H11N3O2/c1-6-4-7-5-8(12(13)14)2-3-9(7)11(6)10/h2-3,5-6H,4,10H2,1H3
InChIKeyUTRXAJBYEMNDDX-UHFFFAOYSA-N
XLogP1.22
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

furan-2-yl-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)methanone
CID 56825589
2-(2-methoxyethoxy)-1-[(2S)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571191
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-pyridin-2-ylmethanone
CID 56825583
(2-methyl-5-nitro-2,3-dihydroindol-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 56825575
6-methyl-4-[(2R)-2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl]-1H-pyridin-2-one
CID 99584557
4-nitro-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
CID 600712
N-[4-(2-methyl-5-nitro-2,3-dihydroindole-1-carbonyl)phenyl]prop-2-enamide
CID 166403668
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]ethanone
CID 95571183
(2S)-5-nitro-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 56972107
(2R)-2-methyl-5-nitro-2,3-dihydroinden-1-one
CID 124630134
(1S,10S,11R,12R)-12,14,14-trimethyl-6-nitro-2-azatetracyclo[10.3.1.02,11.03,8]hexadeca-3(8),4,6-triene-10-carboxylic acid
CID 11910623
1-benzyl-2-methyl-6-nitro-3,4-dihydro-2H-quinoline
CID 24997215

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitro-2,3-dihydroindol-1-amine?
The IUPAC name of 2-methyl-5-nitro-2,3-dihydroindol-1-amine (CID 154151667) is 2-methyl-5-nitro-2,3-dihydroindol-1-amine.
What is the SMILES notation for 2-methyl-5-nitro-2,3-dihydroindol-1-amine?
The canonical SMILES for 2-methyl-5-nitro-2,3-dihydroindol-1-amine is CC1Cc2cc([N+](=O)[O-])ccc2N1N.
What is the InChIKey of 2-methyl-5-nitro-2,3-dihydroindol-1-amine?
The InChIKey is UTRXAJBYEMNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-6-4-7-5-8(12(13)14)2-3-9(7)11(6)10/h2-3,5-6H,4,10H2,1H3.
What are the key properties of 2-methyl-5-nitro-2,3-dihydroindol-1-amine?
2-methyl-5-nitro-2,3-dihydroindol-1-amine has a molecular weight of 193.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitro-2,3-dihydroindol-1-amine is sourced from PubChem (CID 154151667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).