3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine

C11H16ClNO — CID 83835431

IUPAC3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine
SMILESCC(C)c1oc(C2CCNC2)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-7(2)11-9(12)5-10(14-11)8-3-4-13-6-8/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyAWBVTZFTGSLSGR-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.13
Rot. Bonds2

About 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine

3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine (PubChem CID 83835431) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine
PubChem CID83835431
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine
SMILESCC(C)c1oc(C2CCNC2)cc1Cl
InChIInChI=1S/C11H16ClNO/c1-7(2)11-9(12)5-10(14-11)8-3-4-13-6-8/h5,7-8,13H,3-4,6H2,1-2H3
InChIKeyAWBVTZFTGSLSGR-UHFFFAOYSA-N
XLogP3.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423037
3-(8-chloro-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117476785
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
3-(4-bromo-3-chloro-5-fluorophenyl)pyrrolidine
CID 117446844
3-(5-methylfuran-2-yl)pyrrolidine
CID 62066693
3-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117452508
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
3-(6-chloro-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)pyrrolidine
CID 117452507
4-hydroxy-6-piperidin-3-ylpyran-2-one
CID 54707493
3-(4-chloro-2,5-dimethylphenyl)pyrrolidine
CID 84781090
3-(5-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)piperidine
CID 117479597

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine?
The IUPAC name of 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine (CID 83835431) is 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine.
What is the SMILES notation for 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine?
The canonical SMILES for 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine is CC(C)c1oc(C2CCNC2)cc1Cl.
What is the InChIKey of 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine?
The InChIKey is AWBVTZFTGSLSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)11-9(12)5-10(14-11)8-3-4-13-6-8/h5,7-8,13H,3-4,6H2,1-2H3.
What are the key properties of 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine?
3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine has a molecular weight of 213.71 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-propan-2-ylfuran-2-yl)pyrrolidine is sourced from PubChem (CID 83835431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).