1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide

C13H14N2O2 — CID 86273933

IUPAC1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1ccccc1C1(C(=O)NO)CCCC1
InChIInChI=1S/C13H14N2O2/c14-9-10-5-1-2-6-11(10)13(12(16)15-17)7-3-4-8-13/h1-2,5-6,17H,3-4,7-8H2,(H,15,16)
InChIKeyVBVKXZXDHRQDAM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.88
Rot. Bonds2

About 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide

1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide (PubChem CID 86273933) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide
PubChem CID86273933
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide
SMILESN#Cc1ccccc1C1(C(=O)NO)CCCC1
InChIInChI=1S/C13H14N2O2/c14-9-10-5-1-2-6-11(10)13(12(16)15-17)7-3-4-8-13/h1-2,5-6,17H,3-4,7-8H2,(H,15,16)
InChIKeyVBVKXZXDHRQDAM-UHFFFAOYSA-N
XLogP1.88
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide?
The IUPAC name of 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide (CID 86273933) is 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide is N#Cc1ccccc1C1(C(=O)NO)CCCC1.
What is the InChIKey of 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide?
The InChIKey is VBVKXZXDHRQDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-9-10-5-1-2-6-11(10)13(12(16)15-17)7-3-4-8-13/h1-2,5-6,17H,3-4,7-8H2,(H,15,16).
What are the key properties of 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide?
1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 86273933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).