2-cyclohexyl-1-pyrrolidin-1-ylethanone

C12H21NO — CID 12760893

IUPAC2-cyclohexyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyMVIMIDWGSAWRNA-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds2

About 2-cyclohexyl-1-pyrrolidin-1-ylethanone

2-cyclohexyl-1-pyrrolidin-1-ylethanone (PubChem CID 12760893) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclohexyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-pyrrolidin-1-ylethanone
PubChem CID12760893
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-cyclohexyl-1-pyrrolidin-1-ylethanone
SMILESO=C(CC1CCCCC1)N1CCCC1
InChIInChI=1S/C12H21NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h11H,1-10H2
InChIKeyMVIMIDWGSAWRNA-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclohexyl-1-pyrrolidin-1-ylethanone (CID 12760893) is 2-cyclohexyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclohexyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclohexyl-1-pyrrolidin-1-ylethanone is O=C(CC1CCCCC1)N1CCCC1.
What is the InChIKey of 2-cyclohexyl-1-pyrrolidin-1-ylethanone?
The InChIKey is MVIMIDWGSAWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c14-12(13-8-4-5-9-13)10-11-6-2-1-3-7-11/h11H,1-10H2.
What are the key properties of 2-cyclohexyl-1-pyrrolidin-1-ylethanone?
2-cyclohexyl-1-pyrrolidin-1-ylethanone has a molecular weight of 195.31 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 12760893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).