(4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

C11H17NO — CID 130844487

IUPAC(4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESC[C@H]1C=C(N2CCCC2)C(=O)[C@@H]1C
InChIInChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyQIZMUNLEIQZDBA-DTWKUNHWSA-N
MW179.26 g/mol
LogP1.82
Rot. Bonds1

About (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

(4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 130844487) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID130844487
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESC[C@H]1C=C(N2CCCC2)C(=O)[C@@H]1C
InChIInChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1
InChIKeyQIZMUNLEIQZDBA-DTWKUNHWSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 130844487) is (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is C[C@H]1C=C(N2CCCC2)C(=O)[C@@H]1C.
What is the InChIKey of (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is QIZMUNLEIQZDBA-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-7-10(11(13)9(8)2)12-5-3-4-6-12/h7-9H,3-6H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
(4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 130844487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).