N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide

C13H16N2O — CID 6322956

IUPACN-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
SMILESCC(C)=C/C(C)=N\NC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)9-11(3)14-15-13(16)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,15,16)/b14-11-
InChIKeyHOHQHRLHMJVJDG-KAMYIIQDSA-N
MW216.28 g/mol
LogP2.76
Rot. Bonds3

About N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide

N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide (PubChem CID 6322956) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
PubChem CID6322956
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
SMILESCC(C)=C/C(C)=N\NC(=O)c1ccccc1
InChIInChI=1S/C13H16N2O/c1-10(2)9-11(3)14-15-13(16)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,15,16)/b14-11-
InChIKeyHOHQHRLHMJVJDG-KAMYIIQDSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate
CID 54720106
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
N-[(E)-1,1,1-trideuteriopropan-2-ylideneamino]benzamide
CID 175869908
N-[(E)-1-chloropropan-2-ylideneamino]benzamide
CID 5380278
N-(pentan-3-ylideneamino)benzamide
CID 4611553
N-[(E)-(1-bromo-1,1-difluoropropan-2-ylidene)amino]benzamide
CID 167523986
N-[(E)-[(3E)-3-(benzoylhydrazinylidene)butan-2-ylidene]amino]-4-chlorobenzamide
CID 11068273
N-[(E)-1,1-diphenylpropan-2-ylideneamino]benzamide
CID 54785289
N-[(4-amino-4-oxobutan-2-ylidene)amino]benzamide
CID 3434794
N-(diaminomethylideneamino)benzamide;hydrochloride
CID 156587607
4-bromo-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 6948702
4-bromo-N-(4-phenylbut-3-en-2-ylideneamino)benzamide
CID 834129

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide?
The IUPAC name of N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide (CID 6322956) is N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide?
The canonical SMILES for N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide is CC(C)=C/C(C)=N\NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide?
The InChIKey is HOHQHRLHMJVJDG-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)9-11(3)14-15-13(16)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,15,16)/b14-11-.
What are the key properties of N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide?
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide has a molecular weight of 216.28 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide is sourced from PubChem (CID 6322956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).