(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide

C12H22N2O2 — CID 141114853

IUPAC(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCN1CCC[C@]1(C)C(=O)NC1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(6-3-7-14(12)2)11(15)13-10-4-8-16-9-5-10/h10H,3-9H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyDSELMSPIDBFCCU-GFCCVEGCSA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds2

About (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide

(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 141114853) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID141114853
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCN1CCC[C@]1(C)C(=O)NC1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(6-3-7-14(12)2)11(15)13-10-4-8-16-9-5-10/h10H,3-9H2,1-2H3,(H,13,15)/t12-/m1/s1
InChIKeyDSELMSPIDBFCCU-GFCCVEGCSA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 141114853) is (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide is CN1CCC[C@]1(C)C(=O)NC1CCOCC1.
What is the InChIKey of (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is DSELMSPIDBFCCU-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(6-3-7-14(12)2)11(15)13-10-4-8-16-9-5-10/h10H,3-9H2,1-2H3,(H,13,15)/t12-/m1/s1.
What are the key properties of (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-dimethyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 141114853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).