N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide

C14H23NO2 — CID 62521826

IUPACN-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1CC=CCC1
InChIInChI=1S/C14H23NO2/c16-11-14(9-5-2-6-10-14)15-13(17)12-7-3-1-4-8-12/h1,3,12,16H,2,4-11H2,(H,15,17)
InChIKeyXMPPMDMHGBWDQY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.15
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide (PubChem CID 62521826) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide
PubChem CID62521826
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC1(CO)CCCCC1)C1CC=CCC1
InChIInChI=1S/C14H23NO2/c16-11-14(9-5-2-6-10-14)15-13(17)12-7-3-1-4-8-12/h1,3,12,16H,2,4-11H2,(H,15,17)
InChIKeyXMPPMDMHGBWDQY-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.15
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-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide (CID 62521826) is N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide is O=C(NC1(CO)CCCCC1)C1CC=CCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XMPPMDMHGBWDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-11-14(9-5-2-6-10-14)15-13(17)12-7-3-1-4-8-12/h1,3,12,16H,2,4-11H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 62521826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).