cyclopropyl-(6-nitro-1H-indol-3-yl)methanone

C12H10N2O3 — CID 43308968

IUPACcyclopropyl-(6-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1
InChIInChI=1S/C12H10N2O3/c15-12(7-1-2-7)10-6-13-11-5-8(14(16)17)3-4-9(10)11/h3-7,13H,1-2H2
InChIKeyNYQYKXPESKJUAV-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.67
Rot. Bonds3

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

cyclopropyl-(6-nitro-1H-indol-3-yl)methanone (PubChem CID 43308968) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is cyclopropyl-(6-nitro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(6-nitro-1H-indol-3-yl)methanone
PubChem CID43308968
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namecyclopropyl-(6-nitro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1
InChIInChI=1S/C12H10N2O3/c15-12(7-1-2-7)10-6-13-11-5-8(14(16)17)3-4-9(10)11/h3-7,13H,1-2H2
InChIKeyNYQYKXPESKJUAV-UHFFFAOYSA-N
XLogP2.67
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.67
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

(6-nitro-1H-indol-3-yl)-(oxan-4-yl)methanone
CID 62907561
(2-methylcyclopropyl)-(6-nitro-1H-indol-3-yl)methanone
CID 43308958
cycloheptyl-(5-nitro-1H-indol-3-yl)methanone
CID 62587035
2-bromo-1-(6-nitro-1H-indol-3-yl)ethanone
CID 43308931
methyl 2-(6-nitro-1H-indol-3-yl)-2-oxoacetate
CID 75412293
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
2-methyl-1-(6-nitro-1H-indol-3-yl)butan-1-one
CID 43308954
3-(4-methylcyclohexanecarbonyl)-1H-indole-6-carbonitrile
CID 107916664
(6-nitro-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 43463851
oxan-2-ylmethyl 6-nitro-1H-indole-3-carboxylate
CID 56809309
3-(cycloheptanecarbonyl)-1H-indole-6-carbonitrile
CID 107916614
(5-nitro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 62215299

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(6-nitro-1H-indol-3-yl)methanone?
The IUPAC name of cyclopropyl-(6-nitro-1H-indol-3-yl)methanone (CID 43308968) is cyclopropyl-(6-nitro-1H-indol-3-yl)methanone.
What is the SMILES notation for cyclopropyl-(6-nitro-1H-indol-3-yl)methanone?
The canonical SMILES for cyclopropyl-(6-nitro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)C1CC1.
What is the InChIKey of cyclopropyl-(6-nitro-1H-indol-3-yl)methanone?
The InChIKey is NYQYKXPESKJUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-12(7-1-2-7)10-6-13-11-5-8(14(16)17)3-4-9(10)11/h3-7,13H,1-2H2.
What are the key properties of cyclopropyl-(6-nitro-1H-indol-3-yl)methanone?
cyclopropyl-(6-nitro-1H-indol-3-yl)methanone has a molecular weight of 230.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(6-nitro-1H-indol-3-yl)methanone is sourced from PubChem (CID 43308968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).