2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one

C8H14N2O — CID 23239989

IUPAC2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one
SMILESCN(C)/N=C/C1CCCC1=O
InChIInChI=1S/C8H14N2O/c1-10(2)9-6-7-4-3-5-8(7)11/h6-7H,3-5H2,1-2H3/b9-6+
InChIKeyHHBCWILPGFBQBI-RMKNXTFCSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds2

About 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one

2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one (PubChem CID 23239989) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one
PubChem CID23239989
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one
SMILESCN(C)/N=C/C1CCCC1=O
InChIInChI=1S/C8H14N2O/c1-10(2)9-6-7-4-3-5-8(7)11/h6-7H,3-5H2,1-2H3/b9-6+
InChIKeyHHBCWILPGFBQBI-RMKNXTFCSA-N
XLogP0.90
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
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 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one (CID 23239989) is 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one is CN(C)/N=C/C1CCCC1=O.
What is the InChIKey of 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one?
The InChIKey is HHBCWILPGFBQBI-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10(2)9-6-7-4-3-5-8(7)11/h6-7H,3-5H2,1-2H3/b9-6+.
What are the key properties of 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one?
2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one has a molecular weight of 154.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(dimethylhydrazinylidene)methyl]cyclopentan-1-one is sourced from PubChem (CID 23239989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).