2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide

C12H14N2O2 — CID 3770404

IUPAC2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)NC(C)C)o1
InChIInChI=1S/C12H14N2O2/c1-8(2)14-12(15)10(7-13)6-11-5-4-9(3)16-11/h4-6,8H,1-3H3,(H,14,15)
InChIKeyYDOALZAICDMMBZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.02
Rot. Bonds3

About 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide

2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide (PubChem CID 3770404) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
PubChem CID3770404
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide
SMILESCc1ccc(C=C(C#N)C(=O)NC(C)C)o1
InChIInChI=1S/C12H14N2O2/c1-8(2)14-12(15)10(7-13)6-11-5-4-9(3)16-11/h4-6,8H,1-3H3,(H,14,15)
InChIKeyYDOALZAICDMMBZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.02
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'}

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Related Compounds

(E)-2-cyano-3-(5-methylfuran-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 840901
(Z)-2-cyano-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 27493123
propan-2-yl (E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoate
CID 679324
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 17373348
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738795
2-cyano-N-(2,6-dichlorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4015420
(E)-2-cyano-N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 738798
(Z)-2-cyano-3-(5-methylfuran-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 170916723
(Z)-N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 6379218
N-benzyl-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 4105918
ethyl 4-[5-[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]furan-2-yl]benzoate
CID 124661670
2-cyano-N-(2-methylcyclohexyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 3844717

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
The IUPAC name of 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide (CID 3770404) is 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide is Cc1ccc(C=C(C#N)C(=O)NC(C)C)o1.
What is the InChIKey of 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
The InChIKey is YDOALZAICDMMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)14-12(15)10(7-13)6-11-5-4-9(3)16-11/h4-6,8H,1-3H3,(H,14,15).
What are the key properties of 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide?
2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide has a molecular weight of 218.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-methylfuran-2-yl)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 3770404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).