[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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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).