(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide

C13H17NO3 — CID 62517867

IUPAC(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1(CO)CCCC1
InChIInChI=1S/C13H17NO3/c15-10-13(7-1-2-8-13)14-12(16)6-5-11-4-3-9-17-11/h3-6,9,15H,1-2,7-8,10H2,(H,14,16)/b6-5+
InChIKeyCYWMCIVHHYAZRU-AATRIKPKSA-N
MW235.28 g/mol
LogP1.71
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide (PubChem CID 62517867) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
PubChem CID62517867
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NC1(CO)CCCC1
InChIInChI=1S/C13H17NO3/c15-10-13(7-1-2-8-13)14-12(16)6-5-11-4-3-9-17-11/h3-6,9,15H,1-2,7-8,10H2,(H,14,16)/b6-5+
InChIKeyCYWMCIVHHYAZRU-AATRIKPKSA-N
XLogP1.71
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
3-(furan-2-yl)-N-[[4-[3-(furan-2-yl)prop-2-enoylamino]oxan-4-yl]methyl]prop-2-enamide
CID 72692640
2-[3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]thietan-3-yl]acetic acid
CID 166317743
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 143504725
(E)-N-[1-(4-fluorophenyl)cyclopentyl]-3-(furan-2-yl)prop-2-enamide
CID 51126174
(E)-3-(furan-2-yl)-N-[[1-(2-hydroxyethoxy)cyclopentyl]methyl]prop-2-enamide
CID 131702304
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide
CID 18155683
3-(3-chlorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945718
N-[1-(hydroxymethyl)cyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 76945995
(2S)-2-[[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]cyclohexanecarbonyl]amino]-4-methylsulfanylbutanoic acid
CID 24737876

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide (CID 62517867) is (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide is O=C(/C=C/c1ccco1)NC1(CO)CCCC1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The InChIKey is CYWMCIVHHYAZRU-AATRIKPKSA-N. The full InChI is InChI=1S/C13H17NO3/c15-10-13(7-1-2-8-13)14-12(16)6-5-11-4-3-9-17-11/h3-6,9,15H,1-2,7-8,10H2,(H,14,16)/b6-5+.
What are the key properties of (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 62517867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).