1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane

C11H23N — CID 123564390

IUPAC1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane
SMILESC=CCC1(C)CCCN1C.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-6-9(2)7-5-8-10(9)3;1-2/h4H,1,5-8H2,2-3H3;1-2H3
InChIKeyFWARLHDSPPFOFS-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.07
Rot. Bonds2

About 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane

1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane (PubChem CID 123564390) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane.

Molecular Properties

Compound Name1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane
PubChem CID123564390
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane
SMILESC=CCC1(C)CCCN1C.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-6-9(2)7-5-8-10(9)3;1-2/h4H,1,5-8H2,2-3H3;1-2H3
InChIKeyFWARLHDSPPFOFS-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.07
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 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane?
The IUPAC name of 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane (CID 123564390) is 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane.
What is the SMILES notation for 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane?
The canonical SMILES for 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane is C=CCC1(C)CCCN1C.CC.
What is the InChIKey of 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane?
The InChIKey is FWARLHDSPPFOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-4-6-9(2)7-5-8-10(9)3;1-2/h4H,1,5-8H2,2-3H3;1-2H3.
What are the key properties of 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane?
1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane has a molecular weight of 169.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-prop-2-enylpyrrolidine;ethane is sourced from PubChem (CID 123564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).