N-(4-hydroxycyclohexyl)prop-2-enamide

C9H15NO2 — CID 15133126

IUPACN-(4-hydroxycyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(O)CC1
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h2,7-8,11H,1,3-6H2,(H,10,12)
InChIKeyFIMQMKDHEKZUCA-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.59
Rot. Bonds2

About N-(4-hydroxycyclohexyl)prop-2-enamide

N-(4-hydroxycyclohexyl)prop-2-enamide (PubChem CID 15133126) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)prop-2-enamide
PubChem CID15133126
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(4-hydroxycyclohexyl)prop-2-enamide
SMILESC=CC(=O)NC1CCC(O)CC1
InChIInChI=1S/C9H15NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h2,7-8,11H,1,3-6H2,(H,10,12)
InChIKeyFIMQMKDHEKZUCA-UHFFFAOYSA-N
XLogP0.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.59
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-(4-hydroxycyclohexyl)prop-2-enamide?
The IUPAC name of N-(4-hydroxycyclohexyl)prop-2-enamide (CID 15133126) is N-(4-hydroxycyclohexyl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)prop-2-enamide is C=CC(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)prop-2-enamide?
The InChIKey is FIMQMKDHEKZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h2,7-8,11H,1,3-6H2,(H,10,12).
What are the key properties of N-(4-hydroxycyclohexyl)prop-2-enamide?
N-(4-hydroxycyclohexyl)prop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)prop-2-enamide is sourced from PubChem (CID 15133126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).