2-[(5-chlorofuran-2-yl)methyl]pyrrolidine

C9H12ClNO — CID 82655511

IUPAC2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
SMILESClc1ccc(CC2CCCN2)o1
InChIInChI=1S/C9H12ClNO/c10-9-4-3-8(12-9)6-7-2-1-5-11-7/h3-4,7,11H,1-2,5-6H2
InChIKeyDGNXRVIRAOILKS-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.23
Rot. Bonds2

About 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine

2-[(5-chlorofuran-2-yl)methyl]pyrrolidine (PubChem CID 82655511) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
PubChem CID82655511
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-[(5-chlorofuran-2-yl)methyl]pyrrolidine
SMILESClc1ccc(CC2CCCN2)o1
InChIInChI=1S/C9H12ClNO/c10-9-4-3-8(12-9)6-7-2-1-5-11-7/h3-4,7,11H,1-2,5-6H2
InChIKeyDGNXRVIRAOILKS-UHFFFAOYSA-N
XLogP2.23
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
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2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
(2R)-2-(1-benzofuran-2-ylmethyl)piperidine
CID 94859293
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)methyl]pyrrolidine
CID 117387504
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
2-[(4-chloro-1,3-benzodioxol-5-yl)methyl]pyrrolidine
CID 117351934
N-[[(2S)-pyrrolidin-2-yl]methyl]hydroxylamine
CID 91407987
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine (CID 82655511) is 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine is Clc1ccc(CC2CCCN2)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine?
The InChIKey is DGNXRVIRAOILKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c10-9-4-3-8(12-9)6-7-2-1-5-11-7/h3-4,7,11H,1-2,5-6H2.
What are the key properties of 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine?
2-[(5-chlorofuran-2-yl)methyl]pyrrolidine has a molecular weight of 185.65 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 82655511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).