(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide

C13H14N2O2 — CID 6373548

IUPAC(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide
SMILESCC(C)NC(=O)/C(C#N)=C\C=C\c1ccco1
InChIInChI=1S/C13H14N2O2/c1-10(2)15-13(16)11(9-14)5-3-6-12-7-4-8-17-12/h3-8,10H,1-2H3,(H,15,16)/b6-3+,11-5-
InChIKeyMIIKZDOGADHEMM-NEIWRPEWSA-N
MW230.27 g/mol
LogP2.27
Rot. Bonds4

About (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide

(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide (PubChem CID 6373548) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide
PubChem CID6373548
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide
SMILESCC(C)NC(=O)/C(C#N)=C\C=C\c1ccco1
InChIInChI=1S/C13H14N2O2/c1-10(2)15-13(16)11(9-14)5-3-6-12-7-4-8-17-12/h3-8,10H,1-2H3,(H,15,16)/b6-3+,11-5-
InChIKeyMIIKZDOGADHEMM-NEIWRPEWSA-N
XLogP2.27
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-2-cyano-5-(furan-2-yl)-N-(1-phenylethyl)penta-2,4-dienamide
CID 6154562
2-cyano-5-(furan-2-yl)-N-(4-methylphenyl)penta-2,4-dienamide
CID 3527277
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
CID 108829588
(2E,4E)-2-cyano-N-(3-ethoxyphenyl)-5-(furan-2-yl)penta-2,4-dienamide
CID 958348
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
CID 3770404
N-[(E)-1-(furan-2-yl)-3-oxo-3-(propan-2-ylamino)prop-1-en-2-yl]benzamide
CID 5344061
2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
CID 111447916
(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide
CID 95986991
(Z)-2-cyano-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)prop-2-enamide
CID 132969320
(2Z,4E)-2-cyano-5-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]penta-2,4-dienamide
CID 126245079

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide?
The IUPAC name of (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide (CID 6373548) is (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide is CC(C)NC(=O)/C(C#N)=C\C=C\c1ccco1.
What is the InChIKey of (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide?
The InChIKey is MIIKZDOGADHEMM-NEIWRPEWSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(2)15-13(16)11(9-14)5-3-6-12-7-4-8-17-12/h3-8,10H,1-2H3,(H,15,16)/b6-3+,11-5-.
What are the key properties of (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide?
(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide has a molecular weight of 230.27 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide is sourced from PubChem (CID 6373548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).