3-cyano-N-prop-2-enylbenzamide

C11H10N2O — CID 24701030

IUPAC3-cyano-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H10N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h2-5,7H,1,6H2,(H,13,14)
InChIKeyOFXAULPDTNEWIZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.47
Rot. Bonds3

About 3-cyano-N-prop-2-enylbenzamide

3-cyano-N-prop-2-enylbenzamide (PubChem CID 24701030) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-cyano-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-cyano-N-prop-2-enylbenzamide
PubChem CID24701030
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-cyano-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C11H10N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h2-5,7H,1,6H2,(H,13,14)
InChIKeyOFXAULPDTNEWIZ-UHFFFAOYSA-N
XLogP1.47
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
4-N-(3-cyanophenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079174
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
N-(4-amino-4-oxobutyl)-3-cyanobenzamide
CID 47189124
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
3-ethoxy-N-prop-2-enylbenzamide
CID 4957446
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
3-cyano-N-(2-ethoxyethyl)benzamide
CID 43591437

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-prop-2-enylbenzamide?
The IUPAC name of 3-cyano-N-prop-2-enylbenzamide (CID 24701030) is 3-cyano-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-cyano-N-prop-2-enylbenzamide?
The canonical SMILES for 3-cyano-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-prop-2-enylbenzamide?
The InChIKey is OFXAULPDTNEWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-6-13-11(14)10-5-3-4-9(7-10)8-12/h2-5,7H,1,6H2,(H,13,14).
What are the key properties of 3-cyano-N-prop-2-enylbenzamide?
3-cyano-N-prop-2-enylbenzamide has a molecular weight of 186.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-prop-2-enylbenzamide is sourced from PubChem (CID 24701030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).