N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide

C14H14N2O2 — CID 89362802

IUPACN-(5-cyanopent-1-en-3-yl)-2-formylbenzamide
SMILESC=CC(CCC#N)NC(=O)c1ccccc1C=O
InChIInChI=1S/C14H14N2O2/c1-2-12(7-5-9-15)16-14(18)13-8-4-3-6-11(13)10-17/h2-4,6,8,10,12H,1,5,7H2,(H,16,18)
InChIKeyBZUUSYYNZNVWGF-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.09
Rot. Bonds6

About N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide

N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide (PubChem CID 89362802) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide.

Molecular Properties

Compound NameN-(5-cyanopent-1-en-3-yl)-2-formylbenzamide
PubChem CID89362802
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(5-cyanopent-1-en-3-yl)-2-formylbenzamide
SMILESC=CC(CCC#N)NC(=O)c1ccccc1C=O
InChIInChI=1S/C14H14N2O2/c1-2-12(7-5-9-15)16-14(18)13-8-4-3-6-11(13)10-17/h2-4,6,8,10,12H,1,5,7H2,(H,16,18)
InChIKeyBZUUSYYNZNVWGF-UHFFFAOYSA-N
XLogP2.09
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethylsulfanyl)-2-formylbenzamide
CID 88943937
N-(1-cyclohexa-1,3-dien-1-ylsulfanylbut-3-en-2-yl)-2-formylbenzamide
CID 142964491
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
(2S)-2-[(2-formylbenzoyl)amino]pentanedioic acid
CID 11529227
dimethyl 2-[(2-formylbenzoyl)amino]pentanedioate;ethane
CID 143020846
4-benzoyl-5-oxo-5-phenylpentanenitrile
CID 25205019
N-[2-(4-cyanophenyl)ethyl]-2-formylbenzamide
CID 160631823
N-(2-bromoethyl)-2-formylbenzamide
CID 18508334
N-(1-oxopentan-2-yl)-2-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 21190834
2-[(2-formylbenzoyl)amino]ethanesulfonic acid
CID 173328045
2-formyl-N-[(3E,5Z)-3-methylocta-3,5,7-trienyl]benzamide
CID 142265185
N-(2-amino-3-methyl-3-phenylbutyl)-2-formylbenzamide
CID 88968385

Frequently Asked Questions

What is the IUPAC name of N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide?
The IUPAC name of N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide (CID 89362802) is N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide.
What is the SMILES notation for N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide?
The canonical SMILES for N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide is C=CC(CCC#N)NC(=O)c1ccccc1C=O.
What is the InChIKey of N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide?
The InChIKey is BZUUSYYNZNVWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-12(7-5-9-15)16-14(18)13-8-4-3-6-11(13)10-17/h2-4,6,8,10,12H,1,5,7H2,(H,16,18).
What are the key properties of N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide?
N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide has a molecular weight of 242.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanopent-1-en-3-yl)-2-formylbenzamide is sourced from PubChem (CID 89362802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).