N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide

C11H19NO2 — CID 62526480

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C11H19NO2/c1-3-10(14)12-11(8-13)6-4-9(2)5-7-11/h3,9,13H,1,4-8H2,2H3,(H,12,14)
InChIKeyFIVDCZLDNUIQAU-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds3

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide (PubChem CID 62526480) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
PubChem CID62526480
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1(CO)CCC(C)CC1
InChIInChI=1S/C11H19NO2/c1-3-10(14)12-11(8-13)6-4-9(2)5-7-11/h3,9,13H,1,4-8H2,2H3,(H,12,14)
InChIKeyFIVDCZLDNUIQAU-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
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-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide (CID 62526480) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide is C=CC(=O)NC1(CO)CCC(C)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide?
The InChIKey is FIVDCZLDNUIQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-10(14)12-11(8-13)6-4-9(2)5-7-11/h3,9,13H,1,4-8H2,2H3,(H,12,14).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide is sourced from PubChem (CID 62526480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).