N-benzyloxolane-2-carboxamide

C12H15NO2 — CID 4050886

IUPACN-benzyloxolane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCO1
InChIInChI=1S/C12H15NO2/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyOHOVPVPUYCVARV-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.48
Rot. Bonds3

About N-benzyloxolane-2-carboxamide

N-benzyloxolane-2-carboxamide (PubChem CID 4050886) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-benzyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-benzyloxolane-2-carboxamide
PubChem CID4050886
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-benzyloxolane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CCCO1
InChIInChI=1S/C12H15NO2/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyOHOVPVPUYCVARV-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyloxolane-2-carboxamide?
The IUPAC name of N-benzyloxolane-2-carboxamide (CID 4050886) is N-benzyloxolane-2-carboxamide.
What is the SMILES notation for N-benzyloxolane-2-carboxamide?
The canonical SMILES for N-benzyloxolane-2-carboxamide is O=C(NCc1ccccc1)C1CCCO1.
What is the InChIKey of N-benzyloxolane-2-carboxamide?
The InChIKey is OHOVPVPUYCVARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(11-7-4-8-15-11)13-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14).
What are the key properties of N-benzyloxolane-2-carboxamide?
N-benzyloxolane-2-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyloxolane-2-carboxamide is sourced from PubChem (CID 4050886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).