3-(4-cyano-2-methoxyphenyl)prop-2-enamide

C11H10N2O2 — CID 169482899

IUPAC3-(4-cyano-2-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(C#N)ccc1C=CC(N)=O
InChIInChI=1S/C11H10N2O2/c1-15-10-6-8(7-12)2-3-9(10)4-5-11(13)14/h2-6H,1H3,(H2,13,14)
InChIKeyCTQNXLOHTKGTDC-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.07
Rot. Bonds3

About 3-(4-cyano-2-methoxyphenyl)prop-2-enamide

3-(4-cyano-2-methoxyphenyl)prop-2-enamide (PubChem CID 169482899) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-(4-cyano-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-cyano-2-methoxyphenyl)prop-2-enamide
PubChem CID169482899
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-(4-cyano-2-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(C#N)ccc1C=CC(N)=O
InChIInChI=1S/C11H10N2O2/c1-15-10-6-8(7-12)2-3-9(10)4-5-11(13)14/h2-6H,1H3,(H2,13,14)
InChIKeyCTQNXLOHTKGTDC-UHFFFAOYSA-N
XLogP1.07
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-cyano-2-methoxyphenyl)prop-2-enoate
CID 169481283
3-methoxy-4-[(E)-3-oxo-3-(3,4,5-trihydroxyphenyl)prop-1-enyl]benzonitrile
CID 172559228
methyl 3-[2-(2-aminoethoxy)-4-cyanophenyl]prop-2-enoate
CID 174401591
4-[(E)-hydroxyiminomethyl]-3-methoxybenzonitrile
CID 16659220
N-(4-cyanophenyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 3516334
methyl 3-(4-cyano-2-methylphenyl)prop-2-enoate
CID 71376177
4-acetyl-3-methoxybenzonitrile
CID 70047109
4-(3-azidoprop-1-enyl)-3-methoxybenzonitrile
CID 169462928
2-cyanoethyl (2Z)-2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate;2-cyanoethyl (2E)-2-[(4-cyano-2-methoxyphenyl)methylidene]-3-oxobutanoate;methane
CID 162224937
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470837
3-(4-amino-2-chloro-5-methoxyphenyl)prop-2-enamide
CID 169482171
3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 169482902

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(4-cyano-2-methoxyphenyl)prop-2-enamide (CID 169482899) is 3-(4-cyano-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-cyano-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-cyano-2-methoxyphenyl)prop-2-enamide is COc1cc(C#N)ccc1C=CC(N)=O.
What is the InChIKey of 3-(4-cyano-2-methoxyphenyl)prop-2-enamide?
The InChIKey is CTQNXLOHTKGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-6-8(7-12)2-3-9(10)4-5-11(13)14/h2-6H,1H3,(H2,13,14).
What are the key properties of 3-(4-cyano-2-methoxyphenyl)prop-2-enamide?
3-(4-cyano-2-methoxyphenyl)prop-2-enamide has a molecular weight of 202.21 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 169482899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).