(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide

C12H13NO2 — CID 115979782

IUPAC(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
SMILESCC#CCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C12H13NO2/c1-2-3-4-9-13-12(14)8-7-11-6-5-10-15-11/h5-8,10H,4,9H2,1H3,(H,13,14)/b8-7+
InChIKeyCYFGRRDGGUDHKO-BQYQJAHWSA-N
MW203.24 g/mol
LogP1.82
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide

(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide (PubChem CID 115979782) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
PubChem CID115979782
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
SMILESCC#CCCNC(=O)/C=C/c1ccco1
InChIInChI=1S/C12H13NO2/c1-2-3-4-9-13-12(14)8-7-11-6-5-10-15-11/h5-8,10H,4,9H2,1H3,(H,13,14)/b8-7+
InChIKeyCYFGRRDGGUDHKO-BQYQJAHWSA-N
XLogP1.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
N-(2-ethyl-2-hydroxybutyl)-3-(furan-2-yl)prop-2-enamide
CID 77056421
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 103769714

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide (CID 115979782) is (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide is CC#CCCNC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide?
The InChIKey is CYFGRRDGGUDHKO-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-3-4-9-13-12(14)8-7-11-6-5-10-15-11/h5-8,10H,4,9H2,1H3,(H,13,14)/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide?
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide has a molecular weight of 203.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide is sourced from PubChem (CID 115979782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).