N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide

C11H20N2O2 — CID 62760329

IUPACN-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide
SMILESO=C(NCC1CCCN1)C1CCCOC1
InChIInChI=1S/C11H20N2O2/c14-11(9-3-2-6-15-8-9)13-7-10-4-1-5-12-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyMOANQXAMPDDTLD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.28
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide

N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide (PubChem CID 62760329) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide
PubChem CID62760329
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide
SMILESO=C(NCC1CCCN1)C1CCCOC1
InChIInChI=1S/C11H20N2O2/c14-11(9-3-2-6-15-8-9)13-7-10-4-1-5-12-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyMOANQXAMPDDTLD-UHFFFAOYSA-N
XLogP0.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide (CID 62760329) is N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide is O=C(NCC1CCCN1)C1CCCOC1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide?
The InChIKey is MOANQXAMPDDTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(9-3-2-6-15-8-9)13-7-10-4-1-5-12-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide?
N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide has a molecular weight of 212.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)oxane-3-carboxamide is sourced from PubChem (CID 62760329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).