1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine

C13H22ClN — CID 70484399

IUPAC1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine
SMILESClCC(CC1=CCCCC1)N1CCCC1
InChIInChI=1S/C13H22ClN/c14-11-13(15-8-4-5-9-15)10-12-6-2-1-3-7-12/h6,13H,1-5,7-11H2
InChIKeyCRPKIZXDTOMBDB-UHFFFAOYSA-N
MW227.78 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine

1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine (PubChem CID 70484399) has the molecular formula C13H22ClN and a molecular weight of 227.78 g/mol. Its IUPAC name is 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine
PubChem CID70484399
Molecular FormulaC13H22ClN
Molecular Weight227.78 g/mol
Exact Mass227.14
IUPAC Name1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine
SMILESClCC(CC1=CCCCC1)N1CCCC1
InChIInChI=1S/C13H22ClN/c14-11-13(15-8-4-5-9-15)10-12-6-2-1-3-7-12/h6,13H,1-5,7-11H2
InChIKeyCRPKIZXDTOMBDB-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.78
LogP ≤ 53.58
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

CID 11084559
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CID 24196157
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CID 13388221
CID 13388221
CID 20505263
CID 20505263
CID 70485125
CID 70485125
CID 141548192
CID 141548192
CID 141550327
CID 141550327
CID 142154438
CID 142154438
CID 142154443
CID 142154443
CID 427394
CID 427394
CID 55301272
CID 55301272
CID 76225704
CID 76225704

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine?
The IUPAC name of 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine (CID 70484399) is 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine?
The canonical SMILES for 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine is ClCC(CC1=CCCCC1)N1CCCC1.
What is the InChIKey of 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine?
The InChIKey is CRPKIZXDTOMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN/c14-11-13(15-8-4-5-9-15)10-12-6-2-1-3-7-12/h6,13H,1-5,7-11H2.
What are the key properties of 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine?
1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine has a molecular weight of 227.78 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 70484399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).