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

C11H14ClNO2 — CID 102787065

IUPAC[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESCC1CCN(C(=O)c2ccco2)C1CCl
InChIInChI=1S/C11H14ClNO2/c1-8-4-5-13(9(8)7-12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyGRFLRVMRNYNJEP-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.37
Rot. Bonds2

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

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 102787065) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID102787065
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESCC1CCN(C(=O)c2ccco2)C1CCl
InChIInChI=1S/C11H14ClNO2/c1-8-4-5-13(9(8)7-12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyGRFLRVMRNYNJEP-UHFFFAOYSA-N
XLogP2.37
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.37
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

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-phenylmethanone
CID 102786620
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107100299
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 102786618
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97470905
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304
(3-bromothiophen-2-yl)-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787597
[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 97384312
(5-chlorofuran-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738161
1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
furan-2-yl-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 42710493

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone (CID 102787065) is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone is CC1CCN(C(=O)c2ccco2)C1CCl.
What is the InChIKey of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GRFLRVMRNYNJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8-4-5-13(9(8)7-12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone?
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 102787065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).