3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

C11H17NO — CID 18185999

IUPAC3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCC2)C(=O)CC1C
InChIInChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyASHYMNYOWDHCGV-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds1

About 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 18185999) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID18185999
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESCC1=C(N2CCCC2)C(=O)CC1C
InChIInChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3
InChIKeyASHYMNYOWDHCGV-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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Related Compounds

5-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 9834050
3-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185989
5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185987
3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 86131843
trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185986
2-Propan-2-ylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride
CID 368793
2-Propan-2-ylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one
CID 368794
2-Methyl-3-pyrrolidinyl-5-allylcyclopent-2-en-1-one
CID 585510
1-[2-(Pyrrolidin-1-yl)cyclopent-1-en-1-yl]ethanone
CID 85870029
rel-(4R,5S)-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 130844487
3-Methyl-2-(1-pyrrolidinyl)-2-cyclohexen-1-one
CID 15553226
6-Methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 18185985

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 18185999) is 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is CC1=C(N2CCCC2)C(=O)CC1C.
What is the InChIKey of 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is ASHYMNYOWDHCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-10(13)11(9(8)2)12-5-3-4-6-12/h8H,3-7H2,1-2H3.
What are the key properties of 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-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 3,4-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 18185999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).