3-cyclopentyl-1-methyl-5-nitroindole

C14H16N2O2 — CID 118352579

IUPAC3-cyclopentyl-1-methyl-5-nitroindole
SMILESCn1cc(C2CCCC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H16N2O2/c1-15-9-13(10-4-2-3-5-10)12-8-11(16(17)18)6-7-14(12)15/h6-10H,2-5H2,1H3
InChIKeyGRARVLRMGOSJOP-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.74
Rot. Bonds2

About 3-cyclopentyl-1-methyl-5-nitroindole

3-cyclopentyl-1-methyl-5-nitroindole (PubChem CID 118352579) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-5-nitroindole.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-5-nitroindole
PubChem CID118352579
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-cyclopentyl-1-methyl-5-nitroindole
SMILESCn1cc(C2CCCC2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C14H16N2O2/c1-15-9-13(10-4-2-3-5-10)12-8-11(16(17)18)6-7-14(12)15/h6-10H,2-5H2,1H3
InChIKeyGRARVLRMGOSJOP-UHFFFAOYSA-N
XLogP3.74
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
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

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CID 142650131
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CID 68608898
2-cyclopentyl-4-nitroaniline
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3-cyclohexyl-5-nitro-1H-indole
CID 90152657
methyl 2-(1-methyl-5-nitroindol-3-yl)-2-oxoacetate
CID 10849035
4-[(1-methyl-5-nitroindol-3-yl)methyl]morpholine
CID 68612224
1-methyl-5-nitro-N-phenylindole-3-carboxamide
CID 19375024
3-(5-tert-butyl-6,6-dimethyl-2,5-dihydro-1H-pyridin-4-yl)-1-methyl-5-nitroindole
CID 122443269
9-methoxy-3,6-dinitrocarbazole
CID 155908521
3,6-dinitro-9-(3-pyrrolidin-1-ylpropyl)carbazole
CID 45381225
3,6-dinitro-9-[[(2R)-oxiran-2-yl]methyl]carbazole
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2-cyclopropyl-4-nitrophenol
CID 58858109

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-5-nitroindole?
The IUPAC name of 3-cyclopentyl-1-methyl-5-nitroindole (CID 118352579) is 3-cyclopentyl-1-methyl-5-nitroindole.
What is the SMILES notation for 3-cyclopentyl-1-methyl-5-nitroindole?
The canonical SMILES for 3-cyclopentyl-1-methyl-5-nitroindole is Cn1cc(C2CCCC2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-cyclopentyl-1-methyl-5-nitroindole?
The InChIKey is GRARVLRMGOSJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-15-9-13(10-4-2-3-5-10)12-8-11(16(17)18)6-7-14(12)15/h6-10H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-1-methyl-5-nitroindole?
3-cyclopentyl-1-methyl-5-nitroindole has a molecular weight of 244.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-5-nitroindole is sourced from PubChem (CID 118352579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).