(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide

C12H15N3O2 — CID 108829588

IUPAC(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\NCc1ccco1
InChIInChI=1S/C12H15N3O2/c1-9(2)15-12(16)10(6-13)7-14-8-11-4-3-5-17-11/h3-5,7,9,14H,8H2,1-2H3,(H,15,16)/b10-7-
InChIKeyBGPNMHSYCVIMAP-YFHOEESVSA-N
MW233.27 g/mol
LogP1.30
Rot. Bonds5

About (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide

(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide (PubChem CID 108829588) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
PubChem CID108829588
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\NCc1ccco1
InChIInChI=1S/C12H15N3O2/c1-9(2)15-12(16)10(6-13)7-14-8-11-4-3-5-17-11/h3-5,7,9,14H,8H2,1-2H3,(H,15,16)/b10-7-
InChIKeyBGPNMHSYCVIMAP-YFHOEESVSA-N
XLogP1.30
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[[(Z)-2-cyano-3-(furan-2-ylmethylamino)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 108846286
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(3-methylbutylamino)prop-2-enamide
CID 108863540
(Z)-2-cyano-N-[1-(2-ethoxy-5-methylphenyl)ethyl]-3-(furan-2-ylmethylamino)prop-2-enamide
CID 108847778
(Z)-2-cyano-3-[(2-methylphenyl)methylamino]-N-propan-2-ylprop-2-enamide
CID 108829789
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(furan-2-ylmethylamino)prop-2-enamide
CID 108857466
(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-N-propan-2-ylprop-2-enamide
CID 108829528
4-[[(Z)-2-cyano-3-(furan-2-ylmethylamino)prop-2-enoyl]amino]benzoic acid
CID 108823262
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 108840740
ethyl 4-[[[(Z)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]amino]methyl]benzoate
CID 108829786
(2Z,4E)-2-cyano-5-(furan-2-yl)-N-propan-2-ylpenta-2,4-dienamide
CID 6373548
(Z)-2-cyano-3-[2-(4-methylphenyl)ethylamino]-N-propan-2-ylprop-2-enamide
CID 108829807
(Z)-2-cyano-3-[3-(diethylamino)propylamino]-N-(furan-2-ylmethyl)prop-2-enamide
CID 108863429

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide (CID 108829588) is (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C(C#N)=C\NCc1ccco1.
What is the InChIKey of (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide?
The InChIKey is BGPNMHSYCVIMAP-YFHOEESVSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(2)15-12(16)10(6-13)7-14-8-11-4-3-5-17-11/h3-5,7,9,14H,8H2,1-2H3,(H,15,16)/b10-7-.
What are the key properties of (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide?
(Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide has a molecular weight of 233.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(furan-2-ylmethylamino)-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 108829588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).