2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one

C14H21NO — CID 139832425

IUPAC2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=C(N2CCCC2)C1
InChIInChI=1S/C14H21NO/c1-10(2)12-8-13(11(3)14(16)9-12)15-6-4-5-7-15/h12H,1,4-9H2,2-3H3
InChIKeyUQEDBODZPUXSTG-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds2

About 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one

2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (PubChem CID 139832425) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
PubChem CID139832425
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=C(N2CCCC2)C1
InChIInChI=1S/C14H21NO/c1-10(2)12-8-13(11(3)14(16)9-12)15-6-4-5-7-15/h12H,1,4-9H2,2-3H3
InChIKeyUQEDBODZPUXSTG-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
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

5,5-Dimethyl-3-pyrrolidino-2-cyclohexen-1-one
CID 137903
3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one
CID 18185999
5,5-Dimethyl-3-(diethylamino)cyclohex-2-en-1-one
CID 144103
2-Methyl-3-(pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 301501
2-Fluoro-5,5-dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 154691747
(8aR)-5-hexyl-8a-methyl-1,2,3,8-tetrahydroindolizin-7-one
CID 135057057
Aziridinylcarvone
CID 164185850
2-Methyl-3-pyrrolidinyl-5-allylcyclopent-2-en-1-one
CID 585510
(5R,6R)-6-ethyl-5-propyl-2,3,5,6-tetrahydro-1H-indolizin-7-one
CID 11171792
4,4-Dimethyl-3-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 12280447
6-Methyl-2-pyrrolidin-1-ylcyclohex-2-en-1-one
CID 18185985
3,5-Dimethyl-2-(pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 18185996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one (CID 139832425) is 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one is C=C(C)C1CC(=O)C(C)=C(N2CCCC2)C1.
What is the InChIKey of 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
The InChIKey is UQEDBODZPUXSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)12-8-13(11(3)14(16)9-12)15-6-4-5-7-15/h12H,1,4-9H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one?
2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-yl-3-pyrrolidin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 139832425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).