4-(3-cyanoprop-1-enyl)benzamide

C11H10N2O — CID 170799783

IUPAC4-(3-cyanoprop-1-enyl)benzamide
SMILESN#CCC=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H10N2O/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h1,3-7H,2H2,(H2,13,14)
InChIKeyKBILYRRLXVUGJU-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.71
Rot. Bonds3

About 4-(3-cyanoprop-1-enyl)benzamide

4-(3-cyanoprop-1-enyl)benzamide (PubChem CID 170799783) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-(3-cyanoprop-1-enyl)benzamide.

Molecular Properties

Compound Name4-(3-cyanoprop-1-enyl)benzamide
PubChem CID170799783
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4-(3-cyanoprop-1-enyl)benzamide
SMILESN#CCC=Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C11H10N2O/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h1,3-7H,2H2,(H2,13,14)
InChIKeyKBILYRRLXVUGJU-UHFFFAOYSA-N
XLogP1.71
TPSA66.88 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoprop-1-enyl)benzamide?
The IUPAC name of 4-(3-cyanoprop-1-enyl)benzamide (CID 170799783) is 4-(3-cyanoprop-1-enyl)benzamide.
What is the SMILES notation for 4-(3-cyanoprop-1-enyl)benzamide?
The canonical SMILES for 4-(3-cyanoprop-1-enyl)benzamide is N#CCC=Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(3-cyanoprop-1-enyl)benzamide?
The InChIKey is KBILYRRLXVUGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-8-2-1-3-9-4-6-10(7-5-9)11(13)14/h1,3-7H,2H2,(H2,13,14).
What are the key properties of 4-(3-cyanoprop-1-enyl)benzamide?
4-(3-cyanoprop-1-enyl)benzamide has a molecular weight of 186.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoprop-1-enyl)benzamide is sourced from PubChem (CID 170799783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).