(3Z)-3-(dimethylhydrazinylidene)butan-2-one

C6H12N2O — CID 93497612

IUPAC(3Z)-3-(dimethylhydrazinylidene)butan-2-one
SMILESCC(=O)/C(C)=N\N(C)C
InChIInChI=1S/C6H12N2O/c1-5(6(2)9)7-8(3)4/h1-4H3/b7-5-
InChIKeyQBYQXWQLIUTWNW-ALCCZGGFSA-N
MW128.17 g/mol
LogP0.51
Rot. Bonds2

About (3Z)-3-(dimethylhydrazinylidene)butan-2-one

(3Z)-3-(dimethylhydrazinylidene)butan-2-one (PubChem CID 93497612) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (3Z)-3-(dimethylhydrazinylidene)butan-2-one.

Molecular Properties

Compound Name(3Z)-3-(dimethylhydrazinylidene)butan-2-one
PubChem CID93497612
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(3Z)-3-(dimethylhydrazinylidene)butan-2-one
SMILESCC(=O)/C(C)=N\N(C)C
InChIInChI=1S/C6H12N2O/c1-5(6(2)9)7-8(3)4/h1-4H3/b7-5-
InChIKeyQBYQXWQLIUTWNW-ALCCZGGFSA-N
XLogP0.51
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbanide;chlororuthenium(3+);N-methyl-N-[(E)-propan-2-ylideneamino]methanamine
CID 164773898
3-[3-(3-oxobutan-2-ylidenehydrazinylidene)butan-2-ylidenehydrazinylidene]butan-2-one
CID 131885174
(4Z)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one
CID 91999176
(4E)-4-(dimethylhydrazinylidene)-3-methylpentan-2-one
CID 15094188
(1Z)-N,N-dimethylethanehydrazonoyl chloride
CID 88890719
(3E)-3-hydrazinylidenebutan-2-one
CID 11137106
N-[3,4-bis(dimethylhydrazinylidene)hexan-2-ylideneamino]-N-methylmethanamine
CID 89455961
CID 162046175
CID 162046175
3-[2-methyl-3-(3-oxobutan-2-ylideneamino)propyl]iminobutan-2-one
CID 57234369
N-methyl-N-[(Z)-[(Z)-3-propan-2-ylhex-3-en-2-ylidene]amino]methanamine
CID 170405604
(Z)-3-[(Z)-C-cyclopropyl-N-(dimethylamino)carbonimidoyl]-4-(dimethylamino)but-3-en-2-one
CID 87621814
sodium;acetic acid;N,N-dimethylmethanamine;hydride;methanol
CID 173381016

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(dimethylhydrazinylidene)butan-2-one?
The IUPAC name of (3Z)-3-(dimethylhydrazinylidene)butan-2-one (CID 93497612) is (3Z)-3-(dimethylhydrazinylidene)butan-2-one.
What is the SMILES notation for (3Z)-3-(dimethylhydrazinylidene)butan-2-one?
The canonical SMILES for (3Z)-3-(dimethylhydrazinylidene)butan-2-one is CC(=O)/C(C)=N\N(C)C.
What is the InChIKey of (3Z)-3-(dimethylhydrazinylidene)butan-2-one?
The InChIKey is QBYQXWQLIUTWNW-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(6(2)9)7-8(3)4/h1-4H3/b7-5-.
What are the key properties of (3Z)-3-(dimethylhydrazinylidene)butan-2-one?
(3Z)-3-(dimethylhydrazinylidene)butan-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(dimethylhydrazinylidene)butan-2-one is sourced from PubChem (CID 93497612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).