1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone

C9H15NO — CID 59027806

IUPAC1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
SMILESC=C(C)C1NCCC1C(C)=O
InChIInChI=1S/C9H15NO/c1-6(2)9-8(7(3)11)4-5-10-9/h8-10H,1,4-5H2,2-3H3
InChIKeyDIWKLOHSEQTTPC-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.13
Rot. Bonds2

About 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone

1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 59027806) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
PubChem CID59027806
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone
SMILESC=C(C)C1NCCC1C(C)=O
InChIInChI=1S/C9H15NO/c1-6(2)9-8(7(3)11)4-5-10-9/h8-10H,1,4-5H2,2-3H3
InChIKeyDIWKLOHSEQTTPC-UHFFFAOYSA-N
XLogP1.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone (CID 59027806) is 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone is C=C(C)C1NCCC1C(C)=O.
What is the InChIKey of 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is DIWKLOHSEQTTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)9-8(7(3)11)4-5-10-9/h8-10H,1,4-5H2,2-3H3.
What are the key properties of 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone?
1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-1-en-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 59027806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).