3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide

C13H17NO3 — CID 76941530

IUPAC3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1CCCCC1O
InChIInChI=1S/C13H17NO3/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,7-9,11-12,15H,1-2,5-6H2,(H,14,16)
InChIKeyIEYWLKKUYAWMQR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.71
Rot. Bonds3

About 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide

3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide (PubChem CID 76941530) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
PubChem CID76941530
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1CCCCC1O
InChIInChI=1S/C13H17NO3/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,7-9,11-12,15H,1-2,5-6H2,(H,14,16)
InChIKeyIEYWLKKUYAWMQR-UHFFFAOYSA-N
XLogP1.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
(E)-N-(2-hydroxycyclohexyl)-3-phenylprop-2-enamide
CID 14965451
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 104927612
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
CID 77114393
(E)-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 55063743
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylprop-2-enamide
CID 76941528
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464
N-[(1R,2R)-2-hydroxycyclohexyl]furan-2-carboxamide
CID 27126578
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-N-(2-hydroxycycloheptyl)-3-thiophen-2-ylprop-2-enamide
CID 113394904
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide (CID 76941530) is 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide is O=C(C=Cc1ccco1)NC1CCCCC1O.
What is the InChIKey of 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
The InChIKey is IEYWLKKUYAWMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12-6-2-1-5-11(12)14-13(16)8-7-10-4-3-9-17-10/h3-4,7-9,11-12,15H,1-2,5-6H2,(H,14,16).
What are the key properties of 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide?
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide is sourced from PubChem (CID 76941530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).