(3-nitrosocyclopentyl)benzene

C11H13NO — CID 91103024

IUPAC(3-nitrosocyclopentyl)benzene
SMILESO=NC1CCC(c2ccccc2)C1
InChIInChI=1S/C11H13NO/c13-12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyXFPLYWKHQREJFA-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.09
Rot. Bonds2

About (3-nitrosocyclopentyl)benzene

(3-nitrosocyclopentyl)benzene (PubChem CID 91103024) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (3-nitrosocyclopentyl)benzene.

Molecular Properties

Compound Name(3-nitrosocyclopentyl)benzene
PubChem CID91103024
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(3-nitrosocyclopentyl)benzene
SMILESO=NC1CCC(c2ccccc2)C1
InChIInChI=1S/C11H13NO/c13-12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyXFPLYWKHQREJFA-UHFFFAOYSA-N
XLogP3.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;cyclopropylbenzene
CID 144638417
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
5-phenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 18695843
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
(3-methylcyclopentyl)benzene;propane
CID 142973096
ethane;(2R,4S,7R)-7-methyl-2,4-diphenylcyclooctan-1-one
CID 91576649
(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
CID 139082581
trichloro-(4-phenylcyclohexyl)silane
CID 13430490
cyclopropylbenzene;ethylhydrazine
CID 22346635
1-[(1R,2S,5R)-2,5-diphenylcyclohexyl]ethanone
CID 13397264

Frequently Asked Questions

What is the IUPAC name of (3-nitrosocyclopentyl)benzene?
The IUPAC name of (3-nitrosocyclopentyl)benzene (CID 91103024) is (3-nitrosocyclopentyl)benzene.
What is the SMILES notation for (3-nitrosocyclopentyl)benzene?
The canonical SMILES for (3-nitrosocyclopentyl)benzene is O=NC1CCC(c2ccccc2)C1.
What is the InChIKey of (3-nitrosocyclopentyl)benzene?
The InChIKey is XFPLYWKHQREJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-12-11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of (3-nitrosocyclopentyl)benzene?
(3-nitrosocyclopentyl)benzene has a molecular weight of 175.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrosocyclopentyl)benzene is sourced from PubChem (CID 91103024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).