1-(1-chloroethenyl)pyrrolidine

C6H10ClN — CID 89278928

IUPAC1-(1-chloroethenyl)pyrrolidine
SMILESC=C(Cl)N1CCCC1
InChIInChI=1S/C6H10ClN/c1-6(7)8-4-2-3-5-8/h1-5H2
InChIKeyJUKBWZZQUPDQIT-UHFFFAOYSA-N
MW131.61 g/mol
LogP1.79
Rot. Bonds1

About 1-(1-chloroethenyl)pyrrolidine

1-(1-chloroethenyl)pyrrolidine (PubChem CID 89278928) has the molecular formula C6H10ClN and a molecular weight of 131.61 g/mol. Its IUPAC name is 1-(1-chloroethenyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-chloroethenyl)pyrrolidine
PubChem CID89278928
Molecular FormulaC6H10ClN
Molecular Weight131.61 g/mol
Exact Mass131.05
IUPAC Name1-(1-chloroethenyl)pyrrolidine
SMILESC=C(Cl)N1CCCC1
InChIInChI=1S/C6H10ClN/c1-6(7)8-4-2-3-5-8/h1-5H2
InChIKeyJUKBWZZQUPDQIT-UHFFFAOYSA-N
XLogP1.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.61
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-prop-1-en-2-ylpiperidine
CID 12570653
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
1,4,8-triazacyclotetradecane-1,4,8-tricarbonyl chloride
CID 59661795
2-pyrrolidin-1-ylprop-2-enenitrile
CID 14592812
N-methyl-1-piperidin-1-yl-N-(1-piperidin-1-ylethenyl)ethenamine
CID 90055868
1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 155072526
2-(azepan-1-yl)prop-2-enoic acid
CID 175258529
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
CID 135050280
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
1,2-di(piperidin-1-yl)ethene-1,2-diol
CID 15970102
N-[1-(4-methylpiperidin-1-yl)ethenyl]-1-piperidin-1-ylethenamine
CID 90056092

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethenyl)pyrrolidine?
The IUPAC name of 1-(1-chloroethenyl)pyrrolidine (CID 89278928) is 1-(1-chloroethenyl)pyrrolidine.
What is the SMILES notation for 1-(1-chloroethenyl)pyrrolidine?
The canonical SMILES for 1-(1-chloroethenyl)pyrrolidine is C=C(Cl)N1CCCC1.
What is the InChIKey of 1-(1-chloroethenyl)pyrrolidine?
The InChIKey is JUKBWZZQUPDQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN/c1-6(7)8-4-2-3-5-8/h1-5H2.
What are the key properties of 1-(1-chloroethenyl)pyrrolidine?
1-(1-chloroethenyl)pyrrolidine has a molecular weight of 131.61 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethenyl)pyrrolidine is sourced from PubChem (CID 89278928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).