N',3-dimethylbut-2-enehydrazide

C6H12N2O — CID 148501677

IUPACN',3-dimethylbut-2-enehydrazide
SMILESCNNC(=O)C=C(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)4-6(9)8-7-3/h4,7H,1-3H3,(H,8,9)
InChIKeyNKHWJFZIBQDTCM-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.20
Rot. Bonds2

About N',3-dimethylbut-2-enehydrazide

N',3-dimethylbut-2-enehydrazide (PubChem CID 148501677) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N',3-dimethylbut-2-enehydrazide.

Molecular Properties

Compound NameN',3-dimethylbut-2-enehydrazide
PubChem CID148501677
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN',3-dimethylbut-2-enehydrazide
SMILESCNNC(=O)C=C(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)4-6(9)8-7-3/h4,7H,1-3H3,(H,8,9)
InChIKeyNKHWJFZIBQDTCM-UHFFFAOYSA-N
XLogP0.20
TPSA41.13 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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',3-dimethylbut-2-enehydrazide?
The IUPAC name of N',3-dimethylbut-2-enehydrazide (CID 148501677) is N',3-dimethylbut-2-enehydrazide.
What is the SMILES notation for N',3-dimethylbut-2-enehydrazide?
The canonical SMILES for N',3-dimethylbut-2-enehydrazide is CNNC(=O)C=C(C)C.
What is the InChIKey of N',3-dimethylbut-2-enehydrazide?
The InChIKey is NKHWJFZIBQDTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)4-6(9)8-7-3/h4,7H,1-3H3,(H,8,9).
What are the key properties of N',3-dimethylbut-2-enehydrazide?
N',3-dimethylbut-2-enehydrazide has a molecular weight of 128.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethylbut-2-enehydrazide is sourced from PubChem (CID 148501677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).