N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide

C11H18N2O4 — CID 103954262

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2(CO)CCOCC2)CN1
InChIInChI=1S/C11H18N2O4/c14-7-11(1-3-17-4-2-11)13-10(16)8-5-9(15)12-6-8/h8,14H,1-7H2,(H,12,15)(H,13,16)
InChIKeyPSOZWVNCZPUAKX-UHFFFAOYSA-N
MW242.27 g/mol
LogP-1.22
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 103954262) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID103954262
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NC2(CO)CCOCC2)CN1
InChIInChI=1S/C11H18N2O4/c14-7-11(1-3-17-4-2-11)13-10(16)8-5-9(15)12-6-8/h8,14H,1-7H2,(H,12,15)(H,13,16)
InChIKeyPSOZWVNCZPUAKX-UHFFFAOYSA-N
XLogP-1.22
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide (CID 103954262) is N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NC2(CO)CCOCC2)CN1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PSOZWVNCZPUAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-7-11(1-3-17-4-2-11)13-10(16)8-5-9(15)12-6-8/h8,14H,1-7H2,(H,12,15)(H,13,16).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 242.27 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103954262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).