(5-nitroso-2-pentylcyclopenten-1-yl)benzene

C16H21NO — CID 91529642

IUPAC(5-nitroso-2-pentylcyclopenten-1-yl)benzene
SMILESCCCCCC1=C(c2ccccc2)C(N=O)CC1
InChIInChI=1S/C16H21NO/c1-2-3-5-8-14-11-12-15(17-18)16(14)13-9-6-4-7-10-13/h4,6-7,9-10,15H,2-3,5,8,11-12H2,1H3
InChIKeyZIGGFLPOXWJOKV-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.95
Rot. Bonds6

About (5-nitroso-2-pentylcyclopenten-1-yl)benzene

(5-nitroso-2-pentylcyclopenten-1-yl)benzene (PubChem CID 91529642) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (5-nitroso-2-pentylcyclopenten-1-yl)benzene.

Molecular Properties

Compound Name(5-nitroso-2-pentylcyclopenten-1-yl)benzene
PubChem CID91529642
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(5-nitroso-2-pentylcyclopenten-1-yl)benzene
SMILESCCCCCC1=C(c2ccccc2)C(N=O)CC1
InChIInChI=1S/C16H21NO/c1-2-3-5-8-14-11-12-15(17-18)16(14)13-9-6-4-7-10-13/h4,6-7,9-10,15H,2-3,5,8,11-12H2,1H3
InChIKeyZIGGFLPOXWJOKV-UHFFFAOYSA-N
XLogP4.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-decylcyclobuten-1-yl)benzene
CID 10825946
1,1'-biphenyl;hexadecane
CID 173308514
[3-[2-butyl-5-(hydroxyiminomethyl)cyclopenten-1-yl]phenyl]methanol
CID 174528362
2-octylazulene
CID 101406191
1-pentadecyl-4-phenylbenzene
CID 57166115
1,1'-biphenyl;2-pentylcyclohexan-1-one
CID 174847446
(6R)-5-butyl-6,8-diphenyl-1,3,4,6-tetrahydrocyclopenta[c]oxepin-7-one
CID 71663198
ethyl (1S,2S,5R,6S)-7-hexyl-4-phenyltricyclo[4.2.1.02,5]nona-3,7-diene-3-carboxylate
CID 102379862
[(1R,3aS)-5-hexyl-1-hydroxy-4-phenyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]-phenylmethanone
CID 153312869
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374

Frequently Asked Questions

What is the IUPAC name of (5-nitroso-2-pentylcyclopenten-1-yl)benzene?
The IUPAC name of (5-nitroso-2-pentylcyclopenten-1-yl)benzene (CID 91529642) is (5-nitroso-2-pentylcyclopenten-1-yl)benzene.
What is the SMILES notation for (5-nitroso-2-pentylcyclopenten-1-yl)benzene?
The canonical SMILES for (5-nitroso-2-pentylcyclopenten-1-yl)benzene is CCCCCC1=C(c2ccccc2)C(N=O)CC1.
What is the InChIKey of (5-nitroso-2-pentylcyclopenten-1-yl)benzene?
The InChIKey is ZIGGFLPOXWJOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-3-5-8-14-11-12-15(17-18)16(14)13-9-6-4-7-10-13/h4,6-7,9-10,15H,2-3,5,8,11-12H2,1H3.
What are the key properties of (5-nitroso-2-pentylcyclopenten-1-yl)benzene?
(5-nitroso-2-pentylcyclopenten-1-yl)benzene has a molecular weight of 243.35 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitroso-2-pentylcyclopenten-1-yl)benzene is sourced from PubChem (CID 91529642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).