1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one

C9H13NO — CID 45113887

IUPAC1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C=C
InChIInChI=1S/C9H13NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3-4,8H,1-2,5-7H2/t8-/m0/s1
InChIKeyAIJRKULLEKRSQK-QMMMGPOBSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds2

About 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one

1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 45113887) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
PubChem CID45113887
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C=C
InChIInChI=1S/C9H13NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3-4,8H,1-2,5-7H2/t8-/m0/s1
InChIKeyAIJRKULLEKRSQK-QMMMGPOBSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one (CID 45113887) is 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H]1C=C.
What is the InChIKey of 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is AIJRKULLEKRSQK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-8-6-5-7-10(8)9(11)4-2/h3-4,8H,1-2,5-7H2/t8-/m0/s1.
What are the key properties of 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one?
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 45113887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).