1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone

C10H17NO — CID 118335365

IUPAC1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone
SMILESC=CC[C@]1(C(C)=O)CCCN1C
InChIInChI=1S/C10H17NO/c1-4-6-10(9(2)12)7-5-8-11(10)3/h4H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyZJCOOSFPCPZVOU-SNVBAGLBSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds3

About 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone

1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone (PubChem CID 118335365) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone
PubChem CID118335365
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone
SMILESC=CC[C@]1(C(C)=O)CCCN1C
InChIInChI=1S/C10H17NO/c1-4-6-10(9(2)12)7-5-8-11(10)3/h4H,1,5-8H2,2-3H3/t10-/m1/s1
InChIKeyZJCOOSFPCPZVOU-SNVBAGLBSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
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-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone (CID 118335365) is 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone is C=CC[C@]1(C(C)=O)CCCN1C.
What is the InChIKey of 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone?
The InChIKey is ZJCOOSFPCPZVOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-6-10(9(2)12)7-5-8-11(10)3/h4H,1,5-8H2,2-3H3/t10-/m1/s1.
What are the key properties of 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone?
1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methyl-2-prop-2-enylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 118335365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).