(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one

C6H12N2O — CID 87205234

IUPAC(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one
SMILESCC(=O)/C=N/NC(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)8-7-4-6(3)9/h4-5,8H,1-3H3/b7-4+
InChIKeyYZIHUNZXNYQKDM-QPJJXVBHSA-N
MW128.17 g/mol
LogP0.56
Rot. Bonds3

About (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one

(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one (PubChem CID 87205234) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one
PubChem CID87205234
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one
SMILESCC(=O)/C=N/NC(C)C
InChIInChI=1S/C6H12N2O/c1-5(2)8-7-4-6(3)9/h4-5,8H,1-3H3/b7-4+
InChIKeyYZIHUNZXNYQKDM-QPJJXVBHSA-N
XLogP0.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one?
The IUPAC name of (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one (CID 87205234) is (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one.
What is the SMILES notation for (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one?
The canonical SMILES for (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one is CC(=O)/C=N/NC(C)C.
What is the InChIKey of (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one?
The InChIKey is YZIHUNZXNYQKDM-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)8-7-4-6(3)9/h4-5,8H,1-3H3/b7-4+.
What are the key properties of (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one?
(1E)-1-(propan-2-ylhydrazinylidene)propan-2-one has a molecular weight of 128.17 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(propan-2-ylhydrazinylidene)propan-2-one is sourced from PubChem (CID 87205234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).