(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C14H19ClN2O2 — CID 95319796

IUPAC(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H19ClN2O2/c1-16-8-2-4-10(16)11-5-3-9-17(11)14(18)12-6-7-13(15)19-12/h6-7,10-11H,2-5,8-9H2,1H3/t10-,11+/m1/s1
InChIKeyWSMPWDFCLKOMTB-MNOVXSKESA-N
MW282.77 g/mol
LogP2.63
Rot. Bonds2

About (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95319796) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95319796
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C14H19ClN2O2/c1-16-8-2-4-10(16)11-5-3-9-17(11)14(18)12-6-7-13(15)19-12/h6-7,10-11H,2-5,8-9H2,1H3/t10-,11+/m1/s1
InChIKeyWSMPWDFCLKOMTB-MNOVXSKESA-N
XLogP2.63
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(5-chlorofuran-2-yl)-[2-(chloromethyl)piperidin-1-yl]methanone
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(5-chlorofuran-2-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30545695
(2-bromophenyl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
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(5-chlorofuran-2-yl)-(3-chloropiperidin-1-yl)methanone
CID 106689868
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
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[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
1-methyl-4-[2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carbonyl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95319796) is (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1.
What is the InChIKey of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is WSMPWDFCLKOMTB-MNOVXSKESA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-8-2-4-10(16)11-5-3-9-17(11)14(18)12-6-7-13(15)19-12/h6-7,10-11H,2-5,8-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 282.77 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95319796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).