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

C15H25NO2 — CID 55087210

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESCC1CCCC(CO)(NC(=O)C2CC=CCC2)C1
InChIInChI=1S/C15H25NO2/c1-12-6-5-9-15(10-12,11-17)16-14(18)13-7-3-2-4-8-13/h2-3,12-13,17H,4-11H2,1H3,(H,16,18)
InChIKeyCUNYWNDMHSPIDP-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.40
Rot. Bonds3

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

N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide (PubChem CID 55087210) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
PubChem CID55087210
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide
SMILESCC1CCCC(CO)(NC(=O)C2CC=CCC2)C1
InChIInChI=1S/C15H25NO2/c1-12-6-5-9-15(10-12,11-17)16-14(18)13-7-3-2-4-8-13/h2-3,12-13,17H,4-11H2,1H3,(H,16,18)
InChIKeyCUNYWNDMHSPIDP-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.40
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)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide (CID 55087210) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide is CC1CCCC(CO)(NC(=O)C2CC=CCC2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is CUNYWNDMHSPIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-6-5-9-15(10-12,11-17)16-14(18)13-7-3-2-4-8-13/h2-3,12-13,17H,4-11H2,1H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 251.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 55087210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).