2-(3-chloropropyl)-1-prop-2-enylpyrrolidine

C10H18ClN — CID 63388670

IUPAC2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1CCCCl
InChIInChI=1S/C10H18ClN/c1-2-8-12-9-4-6-10(12)5-3-7-11/h2,10H,1,3-9H2
InChIKeyVPGMLVSWURYQKK-UHFFFAOYSA-N
MW187.71 g/mol
LogP2.66
Rot. Bonds5

About 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine

2-(3-chloropropyl)-1-prop-2-enylpyrrolidine (PubChem CID 63388670) has the molecular formula C10H18ClN and a molecular weight of 187.71 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
PubChem CID63388670
Molecular FormulaC10H18ClN
Molecular Weight187.71 g/mol
Exact Mass187.11
IUPAC Name2-(3-chloropropyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1CCCCl
InChIInChI=1S/C10H18ClN/c1-2-8-12-9-4-6-10(12)5-3-7-11/h2,10H,1,3-9H2
InChIKeyVPGMLVSWURYQKK-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.71
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-heptyl-1-prop-2-enylpyrrolidine
CID 134905435
2-(1-prop-2-enylpyrrolidin-2-yl)ethanol
CID 117028490
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
CID 61371898
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857
1-[(4-bromophenyl)methyl]-2-(3-chloropropyl)pyrrolidine
CID 63388244
2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
CID 12905454
2-(3-chloropropyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidine
CID 103413024
(2S)-2-methyl-1-prop-2-enylpyrrolidine
CID 124507016
N-methyl-1-(1-prop-2-enylpiperidin-2-yl)methanamine
CID 62384358
2-(3-chloropropyl)-1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine
CID 63388616
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine (CID 63388670) is 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine is C=CCN1CCCC1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine?
The InChIKey is VPGMLVSWURYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN/c1-2-8-12-9-4-6-10(12)5-3-7-11/h2,10H,1,3-9H2.
What are the key properties of 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine?
2-(3-chloropropyl)-1-prop-2-enylpyrrolidine has a molecular weight of 187.71 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 63388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).