1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone

C12H19NO — CID 130714803

IUPAC1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)C1=CCCCC1
InChIInChI=1S/C12H19NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h6H,1-5,7-10H2
InChIKeyISRRDILNBVOJHR-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.15
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone

1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 130714803) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone
PubChem CID130714803
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)C1=CCCCC1
InChIInChI=1S/C12H19NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h6H,1-5,7-10H2
InChIKeyISRRDILNBVOJHR-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone (CID 130714803) is 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is ISRRDILNBVOJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(10-13-8-4-5-9-13)11-6-2-1-3-7-11/h6H,1-5,7-10H2.
What are the key properties of 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone?
1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 193.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 130714803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).