1-cyclopropylpentan-1-one

C8H14O — CID 11029852

IUPAC1-cyclopropylpentan-1-one
SMILESCCCCC(=O)C1CC1
InChIInChI=1S/C8H14O/c1-2-3-4-8(9)7-5-6-7/h7H,2-6H2,1H3
InChIKeyWFGLZIJEXONREZ-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.16
Rot. Bonds4

About 1-cyclopropylpentan-1-one

1-cyclopropylpentan-1-one (PubChem CID 11029852) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-cyclopropylpentan-1-one.

Molecular Properties

Compound Name1-cyclopropylpentan-1-one
PubChem CID11029852
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name1-cyclopropylpentan-1-one
SMILESCCCCC(=O)C1CC1
InChIInChI=1S/C8H14O/c1-2-3-4-8(9)7-5-6-7/h7H,2-6H2,1H3
InChIKeyWFGLZIJEXONREZ-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylpentan-1-one?
The IUPAC name of 1-cyclopropylpentan-1-one (CID 11029852) is 1-cyclopropylpentan-1-one.
What is the SMILES notation for 1-cyclopropylpentan-1-one?
The canonical SMILES for 1-cyclopropylpentan-1-one is CCCCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropylpentan-1-one?
The InChIKey is WFGLZIJEXONREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-2-3-4-8(9)7-5-6-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopropylpentan-1-one?
1-cyclopropylpentan-1-one has a molecular weight of 126.20 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpentan-1-one is sourced from PubChem (CID 11029852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).