N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide

C11H20N2O2 — CID 90442600

IUPACN-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCN1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C11H20N2O2/c1-13-5-2-10(8-13)12-11(14)9-3-6-15-7-4-9/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m1/s1
InChIKeyNEGDPJRKRVQBGY-SNVBAGLBSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 90442600) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID90442600
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCN1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C11H20N2O2/c1-13-5-2-10(8-13)12-11(14)9-3-6-15-7-4-9/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m1/s1
InChIKeyNEGDPJRKRVQBGY-SNVBAGLBSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide (CID 90442600) is N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide is CN1CC[C@@H](NC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is NEGDPJRKRVQBGY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-13-5-2-10(8-13)12-11(14)9-3-6-15-7-4-9/h9-10H,2-8H2,1H3,(H,12,14)/t10-/m1/s1.
What are the key properties of N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 90442600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).