1-ethyl-2-prop-2-enylpyrrolidine

C9H17N — CID 11829524

IUPAC1-ethyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1CCCN1CC
InChIInChI=1S/C9H17N/c1-3-6-9-7-5-8-10(9)4-2/h3,9H,1,4-8H2,2H3
InChIKeyQHYNBOTVDHEZDM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds3

About 1-ethyl-2-prop-2-enylpyrrolidine

1-ethyl-2-prop-2-enylpyrrolidine (PubChem CID 11829524) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-ethyl-2-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-prop-2-enylpyrrolidine
PubChem CID11829524
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-ethyl-2-prop-2-enylpyrrolidine
SMILESC=CCC1CCCN1CC
InChIInChI=1S/C9H17N/c1-3-6-9-7-5-8-10(9)4-2/h3,9H,1,4-8H2,2H3
InChIKeyQHYNBOTVDHEZDM-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
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

1,2-diethylpyrrolidine;hydrochloride
CID 175060343
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136
[(2R)-1-ethylpyrrolidin-2-yl]methanamine;hydrochloride
CID 46738121
2-(2-bromopropyl)-1-ethylpyrrolidine
CID 130533962
2-but-3-enyl-1-propylpyrrolidine
CID 155306373
1,2-diethylpiperidine
CID 19604037
2-prop-2-enylpiperidin-1-amine
CID 67216893
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
ethane;(1-ethylpyrrolidin-2-yl)methanamine;methane
CID 142875932
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-prop-2-enylpyrrolidine?
The IUPAC name of 1-ethyl-2-prop-2-enylpyrrolidine (CID 11829524) is 1-ethyl-2-prop-2-enylpyrrolidine.
What is the SMILES notation for 1-ethyl-2-prop-2-enylpyrrolidine?
The canonical SMILES for 1-ethyl-2-prop-2-enylpyrrolidine is C=CCC1CCCN1CC.
What is the InChIKey of 1-ethyl-2-prop-2-enylpyrrolidine?
The InChIKey is QHYNBOTVDHEZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-6-9-7-5-8-10(9)4-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 1-ethyl-2-prop-2-enylpyrrolidine?
1-ethyl-2-prop-2-enylpyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-prop-2-enylpyrrolidine is sourced from PubChem (CID 11829524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).