N-(2-methylpent-4-en-2-yl)benzohydrazide

C13H18N2O — CID 19367786

IUPACN-(2-methylpent-4-en-2-yl)benzohydrazide
SMILESC=CCC(C)(C)N(N)C(=O)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-10-13(2,3)15(14)12(16)11-8-6-5-7-9-11/h4-9H,1,10,14H2,2-3H3
InChIKeyMEEUVFBTCROSQR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.36
Rot. Bonds4

About N-(2-methylpent-4-en-2-yl)benzohydrazide

N-(2-methylpent-4-en-2-yl)benzohydrazide (PubChem CID 19367786) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(2-methylpent-4-en-2-yl)benzohydrazide.

Molecular Properties

Compound NameN-(2-methylpent-4-en-2-yl)benzohydrazide
PubChem CID19367786
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(2-methylpent-4-en-2-yl)benzohydrazide
SMILESC=CCC(C)(C)N(N)C(=O)c1ccccc1
InChIInChI=1S/C13H18N2O/c1-4-10-13(2,3)15(14)12(16)11-8-6-5-7-9-11/h4-9H,1,10,14H2,2-3H3
InChIKeyMEEUVFBTCROSQR-UHFFFAOYSA-N
XLogP2.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

CID 102012562
CID 102012562
(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one
CID 125485411
N-(1-amino-2-methylpropan-2-yl)-N-methylbenzamide
CID 82507200
6,6-dimethyl-1-phenylnon-8-en-2-yne-1,4-dione
CID 102019109
dimethyl 2-[amino(benzoyl)amino]-2-hydroxypropanedioate
CID 22213779
N-[(E)-but-2-enoyl]-N-tert-butylbenzamide
CID 177468892
N-methoxy-N-pent-4-enylbenzamide
CID 91362036
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
CID 102012554
CID 102012554
azane;3-chloroprop-1-ene;1,2-diphenylethane-1,2-dione
CID 70188941
2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide
CID 71446342
2,2-dimethylpropane;diphenylmethanone
CID 159191976

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpent-4-en-2-yl)benzohydrazide?
The IUPAC name of N-(2-methylpent-4-en-2-yl)benzohydrazide (CID 19367786) is N-(2-methylpent-4-en-2-yl)benzohydrazide.
What is the SMILES notation for N-(2-methylpent-4-en-2-yl)benzohydrazide?
The canonical SMILES for N-(2-methylpent-4-en-2-yl)benzohydrazide is C=CCC(C)(C)N(N)C(=O)c1ccccc1.
What is the InChIKey of N-(2-methylpent-4-en-2-yl)benzohydrazide?
The InChIKey is MEEUVFBTCROSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-10-13(2,3)15(14)12(16)11-8-6-5-7-9-11/h4-9H,1,10,14H2,2-3H3.
What are the key properties of N-(2-methylpent-4-en-2-yl)benzohydrazide?
N-(2-methylpent-4-en-2-yl)benzohydrazide has a molecular weight of 218.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpent-4-en-2-yl)benzohydrazide is sourced from PubChem (CID 19367786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).