(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide

C15H20N2O3 — CID 95986991

IUPAC(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide
SMILESCC[C@@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1
InChIInChI=1S/C15H20N2O3/c1-4-11(2)15(3,19)10-17-14(18)12(9-16)8-13-6-5-7-20-13/h5-8,11,19H,4,10H2,1-3H3,(H,17,18)/b12-8-/t11-,15-/m1/s1
InChIKeyHGTROHKIJPHMEP-RNJQCAHHSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds6

About (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide

(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide (PubChem CID 95986991) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide
PubChem CID95986991
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide
SMILESCC[C@@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1
InChIInChI=1S/C15H20N2O3/c1-4-11(2)15(3,19)10-17-14(18)12(9-16)8-13-6-5-7-20-13/h5-8,11,19H,4,10H2,1-3H3,(H,17,18)/b12-8-/t11-,15-/m1/s1
InChIKeyHGTROHKIJPHMEP-RNJQCAHHSA-N
XLogP2.10
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
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'}

Analyze (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-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

(Z)-2-cyano-3-(furan-2-yl)-N-(2-hydroxy-2,3-dimethylpentyl)prop-2-enamide
CID 132969320
(E)-2-cyano-3-(furan-2-yl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 111520092
2-cyano-3-(furan-2-yl)-N-(4-hydroxy-2-methylpentyl)prop-2-enamide
CID 111447916
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
(E)-2-cyano-3-(furan-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 787977
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
2-cyano-3-(4-ethoxyphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)prop-2-enamide
CID 111486441
(E)-2-cyano-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 40527924
2-cyano-3-(furan-2-yl)-N-[6-[[3-(furan-2-yl)-2-isocyanoprop-2-enoyl]amino]hexyl]prop-2-enamide
CID 72660889
(E)-2-cyano-3-(furan-2-yl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 954076
2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 842183

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide (CID 95986991) is (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide is CC[C@@H](C)[C@](C)(O)CNC(=O)/C(C#N)=C\c1ccco1.
What is the InChIKey of (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide?
The InChIKey is HGTROHKIJPHMEP-RNJQCAHHSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-11(2)15(3,19)10-17-14(18)12(9-16)8-13-6-5-7-20-13/h5-8,11,19H,4,10H2,1-3H3,(H,17,18)/b12-8-/t11-,15-/m1/s1.
What are the key properties of (Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide?
(Z)-2-cyano-3-(furan-2-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 2.10, 6 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-yl)-N-[(2S,3R)-2-hydroxy-2,3-dimethylpentyl]prop-2-enamide is sourced from PubChem (CID 95986991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).