cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

C15H23NO — CID 161353834

IUPACcyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESC1=CCCC1.CC1CC=C(N2CCCC2)C1=O
InChIInChI=1S/C10H15NO.C5H8/c1-8-4-5-9(10(8)12)11-6-2-3-7-11;1-2-4-5-3-1/h5,8H,2-4,6-7H2,1H3;1-2H,3-5H2
InChIKeyVOGQWCMDVFINPZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.30
Rot. Bonds1

About cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one

cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (PubChem CID 161353834) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.

Molecular Properties

Compound Namecyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
PubChem CID161353834
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Namecyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one
SMILESC1=CCCC1.CC1CC=C(N2CCCC2)C1=O
InChIInChI=1S/C10H15NO.C5H8/c1-8-4-5-9(10(8)12)11-6-2-3-7-11;1-2-4-5-3-1/h5,8H,2-4,6-7H2,1H3;1-2H,3-5H2
InChIKeyVOGQWCMDVFINPZ-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(1-Pyrrolidinyl)-2-cyclopenten-1-one
CID 6429123
5-Methyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 9834050
5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185987
5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one
CID 86131855
trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185986
2-Methyl-3-pyrrolidinyl-5-allylcyclopent-2-en-1-one
CID 585510
rel-(4R,5S)-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 130844487
5-Methyl-2-piperidin-1-ylcyclopent-2-en-1-one
CID 18185984
6-Methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 18185985
2-(Diethylamino)-5-methylcyclopent-2-en-1-one
CID 18185995
2-(Dihexylamino)-5-methylcyclopent-2-en-1-one
CID 69676668
4,4,6-Trimethyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 69676670

Frequently Asked Questions

What is the IUPAC name of cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The IUPAC name of cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one (CID 161353834) is cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one.
What is the SMILES notation for cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The canonical SMILES for cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is C1=CCCC1.CC1CC=C(N2CCCC2)C1=O.
What is the InChIKey of cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
The InChIKey is VOGQWCMDVFINPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C5H8/c1-8-4-5-9(10(8)12)11-6-2-3-7-11;1-2-4-5-3-1/h5,8H,2-4,6-7H2,1H3;1-2H,3-5H2.
What are the key properties of cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one?
cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene;5-methyl-2-pyrrolidin-1-ylcyclopent-2-en-1-one is sourced from PubChem (CID 161353834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).