N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide

C15H20N2O2 — CID 51094437

IUPACN-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1CCOC1
InChIInChI=1S/C15H20N2O2/c18-15(12-7-10-19-11-12)16-13-5-1-2-6-14(13)17-8-3-4-9-17/h1-2,5-6,12H,3-4,7-11H2,(H,16,18)
InChIKeyZZVWMLSQJZJDDK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.26
Rot. Bonds3

About N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide

N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide (PubChem CID 51094437) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide
PubChem CID51094437
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC1)C1CCOC1
InChIInChI=1S/C15H20N2O2/c18-15(12-7-10-19-11-12)16-13-5-1-2-6-14(13)17-8-3-4-9-17/h1-2,5-6,12H,3-4,7-11H2,(H,16,18)
InChIKeyZZVWMLSQJZJDDK-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide (CID 51094437) is N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide is O=C(Nc1ccccc1N1CCCC1)C1CCOC1.
What is the InChIKey of N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide?
The InChIKey is ZZVWMLSQJZJDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(12-7-10-19-11-12)16-13-5-1-2-6-14(13)17-8-3-4-9-17/h1-2,5-6,12H,3-4,7-11H2,(H,16,18).
What are the key properties of N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide?
N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylphenyl)oxolane-3-carboxamide is sourced from PubChem (CID 51094437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).