6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one

C11H17NO — CID 18185985

IUPAC6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
SMILESCC1CCC=C(N2CCCC2)C1=O
InChIInChI=1S/C11H17NO/c1-9-5-4-6-10(11(9)13)12-7-2-3-8-12/h6,9H,2-5,7-8H2,1H3
InChIKeyMHQZMSYTRQLXQG-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds1

About 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one

6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one (PubChem CID 18185985) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
PubChem CID18185985
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
SMILESCC1CCC=C(N2CCCC2)C1=O
InChIInChI=1S/C11H17NO/c1-9-5-4-6-10(11(9)13)12-7-2-3-8-12/h6,9H,2-5,7-8H2,1H3
InChIKeyMHQZMSYTRQLXQG-UHFFFAOYSA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one (CID 18185985) is 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one is CC1CCC=C(N2CCCC2)C1=O.
What is the InChIKey of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one?
The InChIKey is MHQZMSYTRQLXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-5-4-6-10(11(9)13)12-7-2-3-8-12/h6,9H,2-5,7-8H2,1H3.
What are the key properties of 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one?
6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 18185985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).