[2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol

C14H17NO3 — CID 91334577

IUPAC[2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol
SMILESO=[N+]([O-])C1CCCC1(C=Cc1ccccc1)CO
InChIInChI=1S/C14H17NO3/c16-11-14(9-4-7-13(14)15(17)18)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13,16H,4,7,9,11H2
InChIKeyIPVGZSKWGYTNMC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.51
Rot. Bonds4

About [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol

[2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol (PubChem CID 91334577) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol
PubChem CID91334577
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol
SMILESO=[N+]([O-])C1CCCC1(C=Cc1ccccc1)CO
InChIInChI=1S/C14H17NO3/c16-11-14(9-4-7-13(14)15(17)18)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13,16H,4,7,9,11H2
InChIKeyIPVGZSKWGYTNMC-UHFFFAOYSA-N
XLogP2.51
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.51
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

1-[(E)-2-phenylethenyl]cyclopropan-1-ol
CID 15686065
5-hydroxy-6-nitro-7-[(E)-2-phenylethenyl]bicyclo[3.2.1]octan-2-one
CID 102205279
2-nitroethenylbenzene
CID 7626
[(E)-2-nitroethenyl]benzene
CID 5284459
(E)-2-nitro-3-oxo-5-phenylpent-4-enoic acid
CID 88621285
1-[[4-(2-phenylethenyl)phenyl]methyl]cyclohexane-1,2-diamine
CID 174655386
(E)-1-[(1S,5S)-6-oxabicyclo[3.1.0]hexan-1-yl]-3-phenylprop-2-en-1-one
CID 6933089
trans-(1R,2S)-2-(benzylamino)-1-[(E)-2-phenylethenyl]cyclohexan-1-ol
CID 102310578
(1R,5S,7S)-7-(4-nitrophenyl)-1-[(E)-5-phenylpent-4-enyl]bicyclo[3.1.1]heptan-6-one
CID 134921917
2-[(E)-2-phenylethenyl]cyclopentane-1,1-dicarbonitrile
CID 11138716
1,7-dimethyl-7-(2-phenylethenyl)bicyclo[2.2.1]heptane
CID 161422444
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673

Frequently Asked Questions

What is the IUPAC name of [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol?
The IUPAC name of [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol (CID 91334577) is [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol.
What is the SMILES notation for [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol?
The canonical SMILES for [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol is O=[N+]([O-])C1CCCC1(C=Cc1ccccc1)CO.
What is the InChIKey of [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol?
The InChIKey is IPVGZSKWGYTNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-11-14(9-4-7-13(14)15(17)18)10-8-12-5-2-1-3-6-12/h1-3,5-6,8,10,13,16H,4,7,9,11H2.
What are the key properties of [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol?
[2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol has a molecular weight of 247.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-nitro-1-(2-phenylethenyl)cyclopentyl]methanol is sourced from PubChem (CID 91334577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).