2-amino-N-[(E)-pent-3-enyl]benzamide

C12H16N2O — CID 115976398

IUPAC2-amino-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccccc1N
InChIInChI=1S/C12H16N2O/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13/h2-5,7-8H,6,9,13H2,1H3,(H,14,15)/b3-2+
InChIKeyBJLLLWZFOWNQEF-NSCUHMNNSA-N
MW204.27 g/mol
LogP1.96
Rot. Bonds4

About 2-amino-N-[(E)-pent-3-enyl]benzamide

2-amino-N-[(E)-pent-3-enyl]benzamide (PubChem CID 115976398) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-[(E)-pent-3-enyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-pent-3-enyl]benzamide
PubChem CID115976398
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-N-[(E)-pent-3-enyl]benzamide
SMILESC/C=C/CCNC(=O)c1ccccc1N
InChIInChI=1S/C12H16N2O/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13/h2-5,7-8H,6,9,13H2,1H3,(H,14,15)/b3-2+
InChIKeyBJLLLWZFOWNQEF-NSCUHMNNSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-3-enyl]naphthalene-1-carboxamide
CID 113236419
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
pent-3-enyl 2-aminobenzoate
CID 85151102
2-amino-N-dodecylbenzamide
CID 54099396
2-amino-N-[3-oxo-3-(propylamino)propyl]benzamide;hydrochloride
CID 119944917
6-amino-N-[(E)-pent-3-enyl]-1,3-benzodioxole-5-carboxamide
CID 103543395
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
2-amino-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 119944537
2,5-dihydroxy-N-[(E)-pent-3-enyl]benzamide
CID 107723701
2-amino-N-(3-methylsulfanylpropyl)benzamide;hydrochloride
CID 119944236
2-amino-N-(4-hydroxypentyl)benzamide
CID 106118828
2-methyl-3-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628231

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-pent-3-enyl]benzamide?
The IUPAC name of 2-amino-N-[(E)-pent-3-enyl]benzamide (CID 115976398) is 2-amino-N-[(E)-pent-3-enyl]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-pent-3-enyl]benzamide?
The canonical SMILES for 2-amino-N-[(E)-pent-3-enyl]benzamide is C/C=C/CCNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N-[(E)-pent-3-enyl]benzamide?
The InChIKey is BJLLLWZFOWNQEF-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-3-6-9-14-12(15)10-7-4-5-8-11(10)13/h2-5,7-8H,6,9,13H2,1H3,(H,14,15)/b3-2+.
What are the key properties of 2-amino-N-[(E)-pent-3-enyl]benzamide?
2-amino-N-[(E)-pent-3-enyl]benzamide has a molecular weight of 204.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-pent-3-enyl]benzamide is sourced from PubChem (CID 115976398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).