cycloheptyl-(1-methylcyclopropyl)methanone

C12H20O — CID 82931087

IUPACcycloheptyl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C12H20O/c1-12(8-9-12)11(13)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3
InChIKeyYOWABGHEFDHBJS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.33
Rot. Bonds2

About cycloheptyl-(1-methylcyclopropyl)methanone

cycloheptyl-(1-methylcyclopropyl)methanone (PubChem CID 82931087) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is cycloheptyl-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(1-methylcyclopropyl)methanone
PubChem CID82931087
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namecycloheptyl-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)C2CCCCCC2)CC1
InChIInChI=1S/C12H20O/c1-12(8-9-12)11(13)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3
InChIKeyYOWABGHEFDHBJS-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-(1-methylcyclopropyl)methanone?
The IUPAC name of cycloheptyl-(1-methylcyclopropyl)methanone (CID 82931087) is cycloheptyl-(1-methylcyclopropyl)methanone.
What is the SMILES notation for cycloheptyl-(1-methylcyclopropyl)methanone?
The canonical SMILES for cycloheptyl-(1-methylcyclopropyl)methanone is CC1(C(=O)C2CCCCCC2)CC1.
What is the InChIKey of cycloheptyl-(1-methylcyclopropyl)methanone?
The InChIKey is YOWABGHEFDHBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-12(8-9-12)11(13)10-6-4-2-3-5-7-10/h10H,2-9H2,1H3.
What are the key properties of cycloheptyl-(1-methylcyclopropyl)methanone?
cycloheptyl-(1-methylcyclopropyl)methanone has a molecular weight of 180.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 82931087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).