N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C10H16N2O4 — CID 103848823

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC2(O)CCOC2)CN1
InChIInChI=1S/C10H16N2O4/c13-8-3-7(4-11-8)9(14)12-5-10(15)1-2-16-6-10/h7,15H,1-6H2,(H,11,13)(H,12,14)
InChIKeyKZPBACZGFAVFGD-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.61
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 103848823) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID103848823
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCC2(O)CCOC2)CN1
InChIInChI=1S/C10H16N2O4/c13-8-3-7(4-11-8)9(14)12-5-10(15)1-2-16-6-10/h7,15H,1-6H2,(H,11,13)(H,12,14)
InChIKeyKZPBACZGFAVFGD-UHFFFAOYSA-N
XLogP-1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 103848823) is N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)NCC2(O)CCOC2)CN1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KZPBACZGFAVFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8-3-7(4-11-8)9(14)12-5-10(15)1-2-16-6-10/h7,15H,1-6H2,(H,11,13)(H,12,14).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 228.25 g/mol, XLogP of -1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 103848823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).