1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one

C9H15NO — CID 15182075

IUPAC1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one
SMILESC=C[C@@H]1CCCN1C(=O)CC
InChIInChI=1S/C9H15NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyOSGQOGMTRQVAJD-MRVPVSSYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds2

About 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one

1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one (PubChem CID 15182075) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one
PubChem CID15182075
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one
SMILESC=C[C@@H]1CCCN1C(=O)CC
InChIInChI=1S/C9H15NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1
InChIKeyOSGQOGMTRQVAJD-MRVPVSSYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one (CID 15182075) is 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one is C=C[C@@H]1CCCN1C(=O)CC.
What is the InChIKey of 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one?
The InChIKey is OSGQOGMTRQVAJD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3,8H,1,4-7H2,2H3/t8-/m1/s1.
What are the key properties of 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one?
1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-ethenylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 15182075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).