2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine

C14H18ClNO2 — CID 117423026

IUPAC2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
SMILESCC(C)c1c(C2CCCN2)cc(Cl)c2c1OCO2
InChIInChI=1S/C14H18ClNO2/c1-8(2)12-9(11-4-3-5-16-11)6-10(15)13-14(12)18-7-17-13/h6,8,11,16H,3-5,7H2,1-2H3
InChIKeyCWZABELJJCPQMC-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.62
Rot. Bonds2

About 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine

2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine (PubChem CID 117423026) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine.

Molecular Properties

Compound Name2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
PubChem CID117423026
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
SMILESCC(C)c1c(C2CCCN2)cc(Cl)c2c1OCO2
InChIInChI=1S/C14H18ClNO2/c1-8(2)12-9(11-4-3-5-16-11)6-10(15)13-14(12)18-7-17-13/h6,8,11,16H,3-5,7H2,1-2H3
InChIKeyCWZABELJJCPQMC-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423037
3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117476637
2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476778
2-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117494550
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387256
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
CID 117387275
(2S)-2-(4-chlorothiophen-3-yl)pyrrolidine
CID 130648179
2-chloro-3-[(2R)-pyrrolidin-2-yl]-1H-pyrrole
CID 130721860
3-chloro-4-pyrrolidin-2-ylphenol
CID 55271327
3-chloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 55252487
1-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117389986
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine?
The IUPAC name of 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine (CID 117423026) is 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine.
What is the SMILES notation for 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine?
The canonical SMILES for 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine is CC(C)c1c(C2CCCN2)cc(Cl)c2c1OCO2.
What is the InChIKey of 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine?
The InChIKey is CWZABELJJCPQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-8(2)12-9(11-4-3-5-16-11)6-10(15)13-14(12)18-7-17-13/h6,8,11,16H,3-5,7H2,1-2H3.
What are the key properties of 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine?
2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine has a molecular weight of 267.76 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine is sourced from PubChem (CID 117423026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).