(2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine

C10H19N — CID 163799784

IUPAC(2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine
SMILESC=CC[C@]1(C)CCCN1CC
InChIInChI=1S/C10H19N/c1-4-7-10(3)8-6-9-11(10)5-2/h4H,1,5-9H2,2-3H3/t10-/m1/s1
InChIKeyNDYZDWRBKBQTLT-SNVBAGLBSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds3

About (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine

(2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine (PubChem CID 163799784) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine
PubChem CID163799784
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine
SMILESC=CC[C@]1(C)CCCN1CC
InChIInChI=1S/C10H19N/c1-4-7-10(3)8-6-9-11(10)5-2/h4H,1,5-9H2,2-3H3/t10-/m1/s1
InChIKeyNDYZDWRBKBQTLT-SNVBAGLBSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,2-Diallylpyrrolidine
CID 573606
Pyrrolidine, 1-(1-allylcyclohexyl)-
CID 202079
Pyrrolidine, 1-(1-vinylcyclohexyl)-
CID 203371
2-Allyl-1-ethylpyrrolidine
CID 11829524
allyl N-butylpyrrolidine
CID 129724238
1-Methyl-1-(1-vinylcyclohexyl)pyrrolidinium iodide
CID 3031625
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
CID 151270858
3-But-3-enyl-4-ethyl-1-(2-fluoroethyl)pyrrolidine
CID 166944926
1-(2-Fluoroethyl)-2-methyl-2-prop-2-enylpyrrolidine
CID 166974420
(3R)-1-[(4S)-2-ethyl-4-methylhex-5-enyl]-3-fluoropyrrolidine
CID 167009671
1-(4-Ethenyl-2-ethylhex-5-enyl)-3-fluoropyrrolidine
CID 167009907
2-Ethyl-2-(1-fluoroethenyl)-1-methylpyrrolidine
CID 169130391

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine?
The IUPAC name of (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine (CID 163799784) is (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine.
What is the SMILES notation for (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine?
The canonical SMILES for (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine is C=CC[C@]1(C)CCCN1CC.
What is the InChIKey of (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine?
The InChIKey is NDYZDWRBKBQTLT-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-10(3)8-6-9-11(10)5-2/h4H,1,5-9H2,2-3H3/t10-/m1/s1.
What are the key properties of (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine?
(2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-methyl-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 163799784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).