2-(cyclopropylmethyl)-7-nitro-1H-indole

C12H12N2O2 — CID 163622923

IUPAC2-(cyclopropylmethyl)-7-nitro-1H-indole
SMILESO=[N+]([O-])c1cccc2cc(CC3CC3)[nH]c12
InChIInChI=1S/C12H12N2O2/c15-14(16)11-3-1-2-9-7-10(13-12(9)11)6-8-4-5-8/h1-3,7-8,13H,4-6H2
InChIKeyHPRKIRDMMAMXKO-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.03
Rot. Bonds3

About 2-(cyclopropylmethyl)-7-nitro-1H-indole

2-(cyclopropylmethyl)-7-nitro-1H-indole (PubChem CID 163622923) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7-nitro-1H-indole.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7-nitro-1H-indole
PubChem CID163622923
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(cyclopropylmethyl)-7-nitro-1H-indole
SMILESO=[N+]([O-])c1cccc2cc(CC3CC3)[nH]c12
InChIInChI=1S/C12H12N2O2/c15-14(16)11-3-1-2-9-7-10(13-12(9)11)6-8-4-5-8/h1-3,7-8,13H,4-6H2
InChIKeyHPRKIRDMMAMXKO-UHFFFAOYSA-N
XLogP3.03
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-ethyl-7-nitro-N-[[(3R)-oxolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94836383
(4-ethoxypiperidin-1-yl)-(7-nitro-1H-indol-2-yl)methanone
CID 51090848
7-nitro-N-[(3R)-piperidin-3-yl]-1H-indole-2-carboxamide
CID 44556283
2-(5-fluoro-1H-indol-2-yl)-7-nitro-1H-indole
CID 173442632
(7-nitro-1H-indol-2-yl)-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 97081730
2,2,2-trifluoroethyl 7-nitro-1H-indole-2-carboxylate
CID 51087549
(8-nitro-2-oxo-1H-quinolin-3-yl) acetate
CID 13419757
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(7-nitro-1H-indol-2-yl)methanone
CID 51085910
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-7-nitro-1H-indole-2-carboxamide
CID 71938416
[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(7-nitro-1H-indol-2-yl)methanone
CID 102555785
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
1-[(7-nitro-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176423

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7-nitro-1H-indole?
The IUPAC name of 2-(cyclopropylmethyl)-7-nitro-1H-indole (CID 163622923) is 2-(cyclopropylmethyl)-7-nitro-1H-indole.
What is the SMILES notation for 2-(cyclopropylmethyl)-7-nitro-1H-indole?
The canonical SMILES for 2-(cyclopropylmethyl)-7-nitro-1H-indole is O=[N+]([O-])c1cccc2cc(CC3CC3)[nH]c12.
What is the InChIKey of 2-(cyclopropylmethyl)-7-nitro-1H-indole?
The InChIKey is HPRKIRDMMAMXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-14(16)11-3-1-2-9-7-10(13-12(9)11)6-8-4-5-8/h1-3,7-8,13H,4-6H2.
What are the key properties of 2-(cyclopropylmethyl)-7-nitro-1H-indole?
2-(cyclopropylmethyl)-7-nitro-1H-indole has a molecular weight of 216.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7-nitro-1H-indole is sourced from PubChem (CID 163622923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).