5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide

C12H22N2O2 — CID 81331227

IUPAC5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCCC2CCNC2)O1
InChIInChI=1S/C12H22N2O2/c1-9-2-3-11(16-9)12(15)14-7-5-10-4-6-13-8-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyBVAUASRPSCFAGD-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds4

About 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide

5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide (PubChem CID 81331227) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
PubChem CID81331227
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCCC2CCNC2)O1
InChIInChI=1S/C12H22N2O2/c1-9-2-3-11(16-9)12(15)14-7-5-10-4-6-13-8-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyBVAUASRPSCFAGD-UHFFFAOYSA-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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Related Compounds

5-methyl-N-(2-piperidin-3-ylethyl)oxolane-2-carboxamide
CID 81331259
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
CID 114826399
5-methyl-N-(2-piperidin-2-ylethyl)oxolane-2-carboxamide
CID 81330711
N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide
CID 63629072
3-(5-methyloxolan-2-yl)-N-(2-piperidin-3-ylethyl)propanamide
CID 119557859
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
1-ethyl-1-methyl-3-(2-pyrrolidin-3-ylethyl)urea
CID 79163465
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
3-methoxy-N-(2-pyrrolidin-3-ylethyl)propanamide
CID 63630087
2-(3-methylcyclopentyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536431
2-propan-2-yloxy-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 112701317

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide (CID 81331227) is 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide is CC1CCC(C(=O)NCCC2CCNC2)O1.
What is the InChIKey of 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide?
The InChIKey is BVAUASRPSCFAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-2-3-11(16-9)12(15)14-7-5-10-4-6-13-8-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide?
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-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 5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 81331227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).