1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one

C10H15NO — CID 22960024

IUPAC1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CC(=C)C(CC)C1
InChIInChI=1S/C10H15NO/c1-4-9-7-11(6-8(9)3)10(12)5-2/h5,9H,2-4,6-7H2,1H3
InChIKeyJXRSBVNOPLCBQM-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.60
Rot. Bonds2

About 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one

1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one (PubChem CID 22960024) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one
PubChem CID22960024
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CC(=C)C(CC)C1
InChIInChI=1S/C10H15NO/c1-4-9-7-11(6-8(9)3)10(12)5-2/h5,9H,2-4,6-7H2,1H3
InChIKeyJXRSBVNOPLCBQM-UHFFFAOYSA-N
XLogP1.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-(Fluoromethyl)-4-methylidenepyrrolidin-1-yl]prop-2-en-1-one
CID 22960025
1-Methyl-3-(prop-2-en-1-yl)pyrrolidin-2-one
CID 13088193
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
1-[(3R)-3-propan-2-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 57632363
1-[(3S)-3-propan-2-ylpyrrolidin-1-yl]prop-2-en-1-one
CID 57632367
1-Methyl-4-prop-2-enylpyrrolidin-2-one
CID 67434574
1-(3-Ethylpyrrolidin-1-yl)prop-2-en-1-one
CID 68173843
1-(3-Prop-1-en-2-ylpyrrolidin-1-yl)ethanone
CID 70215784
1-(2-Ethenylpyrrolidin-1-yl)prop-2-en-1-one
CID 75094178
1-(3-Propan-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 76571058
1-(3-Methylidenepyrrolidin-1-yl)prop-2-en-1-one
CID 89122044
1-[3-(2-Methylpropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 91258061

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one (CID 22960024) is 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one is C=CC(=O)N1CC(=C)C(CC)C1.
What is the InChIKey of 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one?
The InChIKey is JXRSBVNOPLCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-9-7-11(6-8(9)3)10(12)5-2/h5,9H,2-4,6-7H2,1H3.
What are the key properties of 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one?
1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-methylidenepyrrolidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 22960024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).