N'-(3-methylbut-2-enyl)benzohydrazide

C12H16N2O — CID 11195067

IUPACN'-(3-methylbut-2-enyl)benzohydrazide
SMILESCC(C)=CCNNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(2)8-9-13-14-12(15)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,14,15)
InChIKeyONYFZAPJOIYUFQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.89
Rot. Bonds4

About N'-(3-methylbut-2-enyl)benzohydrazide

N'-(3-methylbut-2-enyl)benzohydrazide (PubChem CID 11195067) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N'-(3-methylbut-2-enyl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-methylbut-2-enyl)benzohydrazide
PubChem CID11195067
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN'-(3-methylbut-2-enyl)benzohydrazide
SMILESCC(C)=CCNNC(=O)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-10(2)8-9-13-14-12(15)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,14,15)
InChIKeyONYFZAPJOIYUFQ-UHFFFAOYSA-N
XLogP1.89
TPSA41.13 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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(hydroxymethyl)benzohydrazide
CID 130128548
4-O-[2-(2-benzoylhydrazinyl)ethyl] 1-O-methyl but-2-enedioate
CID 123909137
3-(3-methylbut-2-enylamino)benzoic acid
CID 25107134
2-(methylamino)-N-(3-methylbut-2-enyl)benzamide
CID 106191072
2-[2-(aminomethyl)phenyl]-N-(3-methylbut-2-enyl)acetamide
CID 106186730
6-methyl-2-phenylhepta-2,5-dienoic acid
CID 67553711
N-[(Z)-4-methylpent-3-en-2-ylideneamino]benzamide
CID 6322956
N'-oxidobenzohydrazide
CID 174971627
(E)-5-benzamido-3-methoxycarbonylpent-3-enoic acid
CID 10356128
N-[(E)-3-methyl-5-phenylpent-2-enyl]benzamide
CID 177309069
2-anilino-N-(3-methylbut-2-enyl)acetamide
CID 106186880
2-[2-[(3-methylbut-2-enylamino)methyl]phenyl]acetic acid
CID 106188818

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-2-enyl)benzohydrazide?
The IUPAC name of N'-(3-methylbut-2-enyl)benzohydrazide (CID 11195067) is N'-(3-methylbut-2-enyl)benzohydrazide.
What is the SMILES notation for N'-(3-methylbut-2-enyl)benzohydrazide?
The canonical SMILES for N'-(3-methylbut-2-enyl)benzohydrazide is CC(C)=CCNNC(=O)c1ccccc1.
What is the InChIKey of N'-(3-methylbut-2-enyl)benzohydrazide?
The InChIKey is ONYFZAPJOIYUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10(2)8-9-13-14-12(15)11-6-4-3-5-7-11/h3-8,13H,9H2,1-2H3,(H,14,15).
What are the key properties of N'-(3-methylbut-2-enyl)benzohydrazide?
N'-(3-methylbut-2-enyl)benzohydrazide has a molecular weight of 204.27 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-2-enyl)benzohydrazide is sourced from PubChem (CID 11195067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).