(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C11H14ClNO2 — CID 106686990

IUPAC(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)CC1C
InChIInChI=1S/C11H14ClNO2/c1-7-5-13(6-8(7)2)11(14)9-3-4-15-10(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBVVCVPJNKWYFMS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.66
Rot. Bonds1

About (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 106686990) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID106686990
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccoc2Cl)CC1C
InChIInChI=1S/C11H14ClNO2/c1-7-5-13(6-8(7)2)11(14)9-3-4-15-10(9)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyBVVCVPJNKWYFMS-UHFFFAOYSA-N
XLogP2.66
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
(2-chlorofuran-3-yl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 106687066
(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106683486
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
CID 106688551
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106689942
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-chlorofuran-3-yl)methanone
CID 106688428
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 106686990) is (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)c2ccoc2Cl)CC1C.
What is the InChIKey of (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is BVVCVPJNKWYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-7-5-13(6-8(7)2)11(14)9-3-4-15-10(9)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 106686990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).