2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide

C12H15N3O2 — CID 139171185

IUPAC2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
SMILESCC(=O)C=C(C)NNC(=O)c1ccccc1N
InChIInChI=1S/C12H15N3O2/c1-8(7-9(2)16)14-15-12(17)10-5-3-4-6-11(10)13/h3-7,14H,13H2,1-2H3,(H,15,17)
InChIKeyOJNRVTZHSCKHTO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide

2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide (PubChem CID 139171185) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide.

Molecular Properties

Compound Name2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
PubChem CID139171185
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide
SMILESCC(=O)C=C(C)NNC(=O)c1ccccc1N
InChIInChI=1S/C12H15N3O2/c1-8(7-9(2)16)14-15-12(17)10-5-3-4-6-11(10)13/h3-7,14H,13H2,1-2H3,(H,15,17)
InChIKeyOJNRVTZHSCKHTO-UHFFFAOYSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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2-amino-N'-(cyclopentanecarbonyl)benzohydrazide
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2-amino-N'-(2-cyanoacetyl)benzohydrazide
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2-amino-N-[2-(methylcarbamoyl)phenyl]benzamide
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2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-N-(2-ethylphenyl)but-2-enamide
CID 6013499
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
2-nitro-N'-(4-oxo-4-phenylbut-2-en-2-yl)benzohydrazide
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2-[[(E)-3-[2-(2-methylfuran-3-carbonyl)hydrazinyl]but-2-enoyl]amino]benzamide
CID 2276494

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide?
The IUPAC name of 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide (CID 139171185) is 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide.
What is the SMILES notation for 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide?
The canonical SMILES for 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide is CC(=O)C=C(C)NNC(=O)c1ccccc1N.
What is the InChIKey of 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide?
The InChIKey is OJNRVTZHSCKHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(7-9(2)16)14-15-12(17)10-5-3-4-6-11(10)13/h3-7,14H,13H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide?
2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide has a molecular weight of 233.27 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(4-oxopent-2-en-2-yl)benzohydrazide is sourced from PubChem (CID 139171185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).