(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide

C11H10N2O2 — CID 57390634

IUPAC(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(CO)cc1)C(N)=O
InChIInChI=1S/C11H10N2O2/c12-6-10(11(13)15)5-8-1-3-9(7-14)4-2-8/h1-5,14H,7H2,(H2,13,15)/b10-5+
InChIKeyOFJOGFSMFYMBEJ-BJMVGYQFSA-N
MW202.21 g/mol
LogP0.57
Rot. Bonds3

About (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide

(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide (PubChem CID 57390634) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
PubChem CID57390634
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
SMILESN#C/C(=C\c1ccc(CO)cc1)C(N)=O
InChIInChI=1S/C11H10N2O2/c12-6-10(11(13)15)5-8-1-3-9(7-14)4-2-8/h1-5,14H,7H2,(H2,13,15)/b10-5+
InChIKeyOFJOGFSMFYMBEJ-BJMVGYQFSA-N
XLogP0.57
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
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'}

Analyze (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]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

(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298
2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2732895
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
(Z)-3-(4-butoxyphenyl)-2-cyanoprop-2-enamide
CID 2198362
ethyl (Z)-2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 6379099
(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 142904803
(E)-2-cyano-3-(4-ethylphenyl)prop-2-enethioamide
CID 6167379
(E)-3-[4-[benzyl(ethyl)amino]phenyl]-2-cyanoprop-2-enamide
CID 6212905
2-cyano-3-[4-(3-methylbutoxy)phenyl]prop-2-enamide
CID 4816639
(E)-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide;3-methylbutan-1-ol
CID 153371349
(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 6281097
methyl 2-cyano-3-(4-ethylphenyl)prop-2-enoate
CID 5047473

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide (CID 57390634) is (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide is N#C/C(=C\c1ccc(CO)cc1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
The InChIKey is OFJOGFSMFYMBEJ-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H10N2O2/c12-6-10(11(13)15)5-8-1-3-9(7-14)4-2-8/h1-5,14H,7H2,(H2,13,15)/b10-5+.
What are the key properties of (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide?
(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide has a molecular weight of 202.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 57390634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).