N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide

C10H17NO2 — CID 107363202

IUPACN-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCCC1CO
InChIInChI=1S/C10H17NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h2,8-9,12H,1,3-7H2,(H,11,13)
InChIKeyGUALRRMTIIYUFB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.84
Rot. Bonds3

About N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide

N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide (PubChem CID 107363202) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
PubChem CID107363202
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCCC1CO
InChIInChI=1S/C10H17NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h2,8-9,12H,1,3-7H2,(H,11,13)
InChIKeyGUALRRMTIIYUFB-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide (CID 107363202) is N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
The InChIKey is GUALRRMTIIYUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(13)11-9-6-4-3-5-8(9)7-12/h2,8-9,12H,1,3-7H2,(H,11,13).
What are the key properties of N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide?
N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 107363202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).