2-methylpent-3-enehydrazide

C6H12N2O — CID 172737407

IUPAC2-methylpent-3-enehydrazide
SMILESCC=CC(C)C(=O)NN
InChIInChI=1S/C6H12N2O/c1-3-4-5(2)6(9)8-7/h3-5H,7H2,1-2H3,(H,8,9)
InChIKeyIQAITDCQXCYBRI-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.19
Rot. Bonds2

About 2-methylpent-3-enehydrazide

2-methylpent-3-enehydrazide (PubChem CID 172737407) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-methylpent-3-enehydrazide.

Molecular Properties

Compound Name2-methylpent-3-enehydrazide
PubChem CID172737407
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-methylpent-3-enehydrazide
SMILESCC=CC(C)C(=O)NN
InChIInChI=1S/C6H12N2O/c1-3-4-5(2)6(9)8-7/h3-5H,7H2,1-2H3,(H,8,9)
InChIKeyIQAITDCQXCYBRI-UHFFFAOYSA-N
XLogP0.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.19
H-Bond Donors ≤ 52
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

(E)-3-methyl-2-oxohex-4-enamide
CID 147197281
(E)-2-methyl-N-(2,2,2-trifluoroethyl)pent-3-enamide
CID 126747436
2-methylpent-3-enoyloxysulfanyl 2-methylpent-3-enoate
CID 91139961
ethyl 2-methylpent-3-enoate
CID 53428586
2-but-2-enoxypropanehydrazide
CID 76999476
but-2-ene;hydrazinecarboxylic acid
CID 174628271
2-methyl-3-sulfanylbutanehydrazide
CID 79415259
dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
CID 71353603
amino (2S)-3-hydrazinyl-2-methyl-3-oxopropanoate
CID 174723059
[(2R)-1-hydrazinyl-1-oxopropan-2-yl]carbamic acid
CID 90311881
butanoyl (E)-2-methylpent-3-eneperoxoate
CID 140796411
(2R)-2-methyl-4-oxopentanehydrazide
CID 166884818

Frequently Asked Questions

What is the IUPAC name of 2-methylpent-3-enehydrazide?
The IUPAC name of 2-methylpent-3-enehydrazide (CID 172737407) is 2-methylpent-3-enehydrazide.
What is the SMILES notation for 2-methylpent-3-enehydrazide?
The canonical SMILES for 2-methylpent-3-enehydrazide is CC=CC(C)C(=O)NN.
What is the InChIKey of 2-methylpent-3-enehydrazide?
The InChIKey is IQAITDCQXCYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-3-4-5(2)6(9)8-7/h3-5H,7H2,1-2H3,(H,8,9).
What are the key properties of 2-methylpent-3-enehydrazide?
2-methylpent-3-enehydrazide has a molecular weight of 128.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpent-3-enehydrazide is sourced from PubChem (CID 172737407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).