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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Related Compounds

tert-butyl (2S,4S)-2-acetyl-4-ethylpyrrolidine-1-carboxylate
CID 90244791
methyl 1,4-diethylpyrrolidine-2-carboxylate
CID 91166358
1-(1-tert-butyl-4-ethylpyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 20752718
1-[(2S,4R)-4-ethenyl-1-methylpyrrolidin-2-yl]ethanone
CID 157025794
bis(but-3-en-2-one);1,4-diethylcyclohexane;ethene;propane
CID 145237669
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
(2R,3R,5R)-5-acetyl-3-ethyl-1-methylpyrrolidine-2-carbaldehyde
CID 59911440
4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67085688
(2S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 86723602
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232

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).