1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone

C10H17NO — CID 89192479

IUPAC1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone
SMILESC=CN1C[C@@H](CC)CC1C(C)=O
InChIInChI=1S/C10H17NO/c1-4-9-6-10(8(3)12)11(5-2)7-9/h5,9-10H,2,4,6-7H2,1,3H3/t9-,10?/m0/s1
InChIKeyMCWPNKQGIURROL-RGURZIINSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds3

About 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone

1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone (PubChem CID 89192479) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone
PubChem CID89192479
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone
SMILESC=CN1C[C@@H](CC)CC1C(C)=O
InChIInChI=1S/C10H17NO/c1-4-9-6-10(8(3)12)11(5-2)7-9/h5,9-10H,2,4,6-7H2,1,3H3/t9-,10?/m0/s1
InChIKeyMCWPNKQGIURROL-RGURZIINSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone (CID 89192479) is 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone is C=CN1C[C@@H](CC)CC1C(C)=O.
What is the InChIKey of 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone?
The InChIKey is MCWPNKQGIURROL-RGURZIINSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9-6-10(8(3)12)11(5-2)7-9/h5,9-10H,2,4,6-7H2,1,3H3/t9-,10?/m0/s1.
What are the key properties of 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone?
1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone has a molecular weight of 167.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-1-ethenyl-4-ethylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 89192479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).