(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone

C13H12N2O3 — CID 43308958

IUPAC(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
SMILESCC1CC1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H12N2O3/c1-7-4-10(7)13(16)11-6-14-12-5-8(15(17)18)2-3-9(11)12/h2-3,5-7,10,14H,4H2,1H3
InChIKeyBAQBXAQDBLOWGJ-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.91
Rot. Bonds3

About (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone

(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone (PubChem CID 43308958) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
PubChem CID43308958
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
SMILESCC1CC1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12
InChIInChI=1S/C13H12N2O3/c1-7-4-10(7)13(16)11-6-14-12-5-8(15(17)18)2-3-9(11)12/h2-3,5-7,10,14H,4H2,1H3
InChIKeyBAQBXAQDBLOWGJ-UHFFFAOYSA-N
XLogP2.91
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.91
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'}

Analyze (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclopropyl-(6-nitro-1H-indol-3-yl)methanone
CID 43308968
(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
2-methyl-1-(6-nitro-1H-indol-3-yl)butan-1-one
CID 43308954
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
(4,5-dimethylthiophen-2-yl)-(6-nitro-1H-indol-3-yl)methanone
CID 65237307
3,4,4-trimethyl-1-(6-nitro-1H-indol-3-yl)pentan-1-one
CID 63834645
(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 43463851
6-nitro-N-(3-phenylprop-2-ynyl)-1H-indole-3-carboxamide
CID 75413903
N-cyclopropyl-N-(furan-2-ylmethyl)-6-nitro-1H-indole-3-carboxamide
CID 75479572
(1S)-1-(6-nitro-1H-indol-3-yl)ethanamine
CID 82758109

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone (CID 43308958) is (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone is CC1CC1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12.
What is the InChIKey of (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone?
The InChIKey is BAQBXAQDBLOWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-7-4-10(7)13(16)11-6-14-12-5-8(15(17)18)2-3-9(11)12/h2-3,5-7,10,14H,4H2,1H3.
What are the key properties of (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone?
(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone has a molecular weight of 244.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone is sourced from PubChem (CID 43308958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).