ethane;(2S)-2-prop-1-en-2-ylpyrrolidine

C9H19N — CID 142069631

IUPACethane;(2S)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@@H]1CCCN1.CC
InChIInChI=1S/C7H13N.C2H6/c1-6(2)7-4-3-5-8-7;1-2/h7-8H,1,3-5H2,2H3;1-2H3/t7-;/m0./s1
InChIKeyFGXAOVYKECBQHW-FJXQXJEOSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds1

About ethane;(2S)-2-prop-1-en-2-ylpyrrolidine

ethane;(2S)-2-prop-1-en-2-ylpyrrolidine (PubChem CID 142069631) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;(2S)-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Nameethane;(2S)-2-prop-1-en-2-ylpyrrolidine
PubChem CID142069631
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;(2S)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)[C@@H]1CCCN1.CC
InChIInChI=1S/C7H13N.C2H6/c1-6(2)7-4-3-5-8-7;1-2/h7-8H,1,3-5H2,2H3;1-2H3/t7-;/m0./s1
InChIKeyFGXAOVYKECBQHW-FJXQXJEOSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2S)-2-prop-1-en-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-[(3E)-4-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 155692364
2-methyl-1-[(2S)-piperidin-2-yl]prop-2-en-1-one
CID 165468082
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
pyrrolidin-2-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 20598954
N-[(Z)-1-pyrrolidin-2-ylprop-1-enyl]methanimine
CID 142562226
ethane;methanol;methyl pyrrolidine-2-carboxylate
CID 144894204
methanethiol;pyrrolidine-2-carboxylic acid
CID 156719137
ethane;(2R)-piperidine-2-carboxylic acid
CID 157030734
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of ethane;(2S)-2-prop-1-en-2-ylpyrrolidine (CID 142069631) is ethane;(2S)-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for ethane;(2S)-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for ethane;(2S)-2-prop-1-en-2-ylpyrrolidine is C=C(C)[C@@H]1CCCN1.CC.
What is the InChIKey of ethane;(2S)-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is FGXAOVYKECBQHW-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-6(2)7-4-3-5-8-7;1-2/h7-8H,1,3-5H2,2H3;1-2H3/t7-;/m0./s1.
What are the key properties of ethane;(2S)-2-prop-1-en-2-ylpyrrolidine?
ethane;(2S)-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 142069631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).