[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone

C10H12ClNO2 — CID 63394223

IUPAC[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC1CCl
InChIInChI=1S/C10H12ClNO2/c11-6-9-2-1-4-12(9)10(13)8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2
InChIKeyOGHBBIOZEUTFSE-UHFFFAOYSA-N
MW213.66 g/mol
LogP2.12
Rot. Bonds2

About [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone

[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 63394223) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID63394223
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC1CCl
InChIInChI=1S/C10H12ClNO2/c11-6-9-2-1-4-12(9)10(13)8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2
InChIKeyOGHBBIOZEUTFSE-UHFFFAOYSA-N
XLogP2.12
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

furan-3-yl-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62468240
[2-(chloromethyl)pyrrolidin-1-yl]-(4-ethylphenyl)methanone
CID 55186866
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974810
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 63394765
[2-(chloromethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 63394259
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 77036430
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402
(5-bromothiophen-3-yl)-[2-(chloromethyl)pyrrolidin-1-yl]methanone
CID 107965880
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl(furan-3-yl)methanone
CID 68603982
furan-3-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631497
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone (CID 63394223) is [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC1CCl.
What is the InChIKey of [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is OGHBBIOZEUTFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-6-9-2-1-4-12(9)10(13)8-3-5-14-7-8/h3,5,7,9H,1-2,4,6H2.
What are the key properties of [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
[2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 213.66 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 63394223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).