(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one

C14H18ClNO2 — CID 96535670

IUPAC(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one
SMILESCN(CC[C@@H]1CCOC1=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-16(8-6-11-7-9-18-14(11)17)10-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyWGBGDNHLAHPPKB-LLVKDONJSA-N
MW267.76 g/mol
LogP2.72
Rot. Bonds5

About (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one

(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one (PubChem CID 96535670) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one
PubChem CID96535670
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one
SMILESCN(CC[C@@H]1CCOC1=O)Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO2/c1-16(8-6-11-7-9-18-14(11)17)10-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyWGBGDNHLAHPPKB-LLVKDONJSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one?
The IUPAC name of (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one (CID 96535670) is (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one is CN(CC[C@@H]1CCOC1=O)Cc1ccccc1Cl.
What is the InChIKey of (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one?
The InChIKey is WGBGDNHLAHPPKB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-16(8-6-11-7-9-18-14(11)17)10-12-4-2-3-5-13(12)15/h2-5,11H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one?
(3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]oxolan-2-one is sourced from PubChem (CID 96535670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).