4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one

C14H25NO — CID 12760908

IUPAC4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCCC1
InChIInChI=1S/C14H25NO/c16-14(15-11-4-5-12-15)10-6-9-13-7-2-1-3-8-13/h13H,1-12H2
InChIKeyRJROLGVJZKZUMI-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds4

About 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one

4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 12760908) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one
PubChem CID12760908
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one
SMILESO=C(CCCC1CCCCC1)N1CCCC1
InChIInChI=1S/C14H25NO/c16-14(15-11-4-5-12-15)10-6-9-13-7-2-1-3-8-13/h13H,1-12H2
InChIKeyRJROLGVJZKZUMI-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one (CID 12760908) is 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one is O=C(CCCC1CCCCC1)N1CCCC1.
What is the InChIKey of 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is RJROLGVJZKZUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14(15-11-4-5-12-15)10-6-9-13-7-2-1-3-8-13/h13H,1-12H2.
What are the key properties of 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one?
4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 12760908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).