1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one

C13H24N2O — CID 142227419

IUPAC1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one
SMILESCCC(=O)C(CC1CC2CC(C2)C1)NNC
InChIInChI=1S/C13H24N2O/c1-3-13(16)12(15-14-2)8-11-6-9-4-10(5-9)7-11/h9-12,14-15H,3-8H2,1-2H3
InChIKeyLUDNLMAPODEWEQ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.88
Rot. Bonds6

About 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one

1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one (PubChem CID 142227419) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one
PubChem CID142227419
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one
SMILESCCC(=O)C(CC1CC2CC(C2)C1)NNC
InChIInChI=1S/C13H24N2O/c1-3-13(16)12(15-14-2)8-11-6-9-4-10(5-9)7-11/h9-12,14-15H,3-8H2,1-2H3
InChIKeyLUDNLMAPODEWEQ-UHFFFAOYSA-N
XLogP1.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one?
The IUPAC name of 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one (CID 142227419) is 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one.
What is the SMILES notation for 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one?
The canonical SMILES for 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one is CCC(=O)C(CC1CC2CC(C2)C1)NNC.
What is the InChIKey of 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one?
The InChIKey is LUDNLMAPODEWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-13(16)12(15-14-2)8-11-6-9-4-10(5-9)7-11/h9-12,14-15H,3-8H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one?
1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one has a molecular weight of 224.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.1]heptanyl)-2-(2-methylhydrazinyl)pentan-3-one is sourced from PubChem (CID 142227419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).