2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one

C14H22N2O2 — CID 91448783

IUPAC2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one
SMILESO=C1CCCCCC1=NNC1CCCCCC1=O
InChIInChI=1S/C14H22N2O2/c17-13-9-5-1-3-7-11(13)15-16-12-8-4-2-6-10-14(12)18/h11,15H,1-10H2
InChIKeyGXAJONUHDNSOHO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.37
Rot. Bonds2

About 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one

2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one (PubChem CID 91448783) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one
PubChem CID91448783
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one
SMILESO=C1CCCCCC1=NNC1CCCCCC1=O
InChIInChI=1S/C14H22N2O2/c17-13-9-5-1-3-7-11(13)15-16-12-8-4-2-6-10-14(12)18/h11,15H,1-10H2
InChIKeyGXAJONUHDNSOHO-UHFFFAOYSA-N
XLogP2.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one?
The IUPAC name of 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one (CID 91448783) is 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one.
What is the SMILES notation for 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one?
The canonical SMILES for 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one is O=C1CCCCCC1=NNC1CCCCCC1=O.
What is the InChIKey of 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one?
The InChIKey is GXAJONUHDNSOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13-9-5-1-3-7-11(13)15-16-12-8-4-2-6-10-14(12)18/h11,15H,1-10H2.
What are the key properties of 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one?
2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxocycloheptyl)hydrazinylidene]cycloheptan-1-one is sourced from PubChem (CID 91448783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).