(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone

C15H19Cl2NO2 — CID 66687178

IUPAC(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
SMILESCCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)CC(OC)CN1
InChIInChI=1S/C15H19Cl2NO2/c1-3-6-15(8-11(20-2)9-18-15)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,3,6,8-9H2,1-2H3/t11?,15-/m1/s1
InChIKeyCLWWXQUPXPXANA-JOPIAHFSSA-N
MW316.23 g/mol
LogP3.72
Rot. Bonds5

About (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone

(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone (PubChem CID 66687178) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
PubChem CID66687178
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone
SMILESCCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)CC(OC)CN1
InChIInChI=1S/C15H19Cl2NO2/c1-3-6-15(8-11(20-2)9-18-15)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,3,6,8-9H2,1-2H3/t11?,15-/m1/s1
InChIKeyCLWWXQUPXPXANA-JOPIAHFSSA-N
XLogP3.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone (CID 66687178) is (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone is CCC[C@]1(C(=O)c2ccc(Cl)c(Cl)c2)CC(OC)CN1.
What is the InChIKey of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
The InChIKey is CLWWXQUPXPXANA-JOPIAHFSSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-3-6-15(8-11(20-2)9-18-15)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,11,18H,3,6,8-9H2,1-2H3/t11?,15-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone?
(3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone has a molecular weight of 316.23 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(2R)-4-methoxy-2-propylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 66687178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).