N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide

C14H17NO2 — CID 14340001

IUPACN-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide
SMILESO=C(NC1C=CCCC1)c1ccccc1CO
InChIInChI=1S/C14H17NO2/c16-10-11-6-4-5-9-13(11)14(17)15-12-7-2-1-3-8-12/h2,4-7,9,12,16H,1,3,8,10H2,(H,15,17)
InChIKeyZIDDPTMHAOGRQP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.02
Rot. Bonds3

About N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide

N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide (PubChem CID 14340001) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide
PubChem CID14340001
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC NameN-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide
SMILESO=C(NC1C=CCCC1)c1ccccc1CO
InChIInChI=1S/C14H17NO2/c16-10-11-6-4-5-9-13(11)14(17)15-12-7-2-1-3-8-12/h2,4-7,9,12,16H,1,3,8,10H2,(H,15,17)
InChIKeyZIDDPTMHAOGRQP-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide?
The IUPAC name of N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide (CID 14340001) is N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide is O=C(NC1C=CCCC1)c1ccccc1CO.
What is the InChIKey of N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide?
The InChIKey is ZIDDPTMHAOGRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-10-11-6-4-5-9-13(11)14(17)15-12-7-2-1-3-8-12/h2,4-7,9,12,16H,1,3,8,10H2,(H,15,17).
What are the key properties of N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide?
N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide has a molecular weight of 231.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-2-(hydroxymethyl)benzamide is sourced from PubChem (CID 14340001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).