2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide

C12H22N2O2 — CID 104971935

IUPAC2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c1-9-11(5-8-16-9)12(15)14-7-4-10-3-2-6-13-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10-,11?/m1/s1
InChIKeyZPMOIAKYVFDYTC-HSOILSAZSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

About 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide

2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide (PubChem CID 104971935) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
PubChem CID104971935
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC[C@H]1CCCN1
InChIInChI=1S/C12H22N2O2/c1-9-11(5-8-16-9)12(15)14-7-4-10-3-2-6-13-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10-,11?/m1/s1
InChIKeyZPMOIAKYVFDYTC-HSOILSAZSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide (CID 104971935) is 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide is CC1OCCC1C(=O)NCC[C@H]1CCCN1.
What is the InChIKey of 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide?
The InChIKey is ZPMOIAKYVFDYTC-HSOILSAZSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-11(5-8-16-9)12(15)14-7-4-10-3-2-6-13-10/h9-11,13H,2-8H2,1H3,(H,14,15)/t9?,10-,11?/m1/s1.
What are the key properties of 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide?
2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 104971935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).