carbamic acid;oxolan-2-one

C5H9NO4 — CID 174815288

IUPACcarbamic acid;oxolan-2-one
SMILESNC(=O)O.O=C1CCCO1
InChIInChI=1S/C4H6O2.CH3NO2/c5-4-2-1-3-6-4;2-1(3)4/h1-3H2;2H2,(H,3,4)
InChIKeyJYFKCFZDLKDPIA-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.05
Rot. Bonds

About carbamic acid;oxolan-2-one

carbamic acid;oxolan-2-one (PubChem CID 174815288) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is carbamic acid;oxolan-2-one.

Molecular Properties

Compound Namecarbamic acid;oxolan-2-one
PubChem CID174815288
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namecarbamic acid;oxolan-2-one
SMILESNC(=O)O.O=C1CCCO1
InChIInChI=1S/C4H6O2.CH3NO2/c5-4-2-1-3-6-4;2-1(3)4/h1-3H2;2H2,(H,3,4)
InChIKeyJYFKCFZDLKDPIA-UHFFFAOYSA-N
XLogP-0.05
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze carbamic acid;oxolan-2-one 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 carbamic acid;oxolan-2-one?
The IUPAC name of carbamic acid;oxolan-2-one (CID 174815288) is carbamic acid;oxolan-2-one.
What is the SMILES notation for carbamic acid;oxolan-2-one?
The canonical SMILES for carbamic acid;oxolan-2-one is NC(=O)O.O=C1CCCO1.
What is the InChIKey of carbamic acid;oxolan-2-one?
The InChIKey is JYFKCFZDLKDPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.CH3NO2/c5-4-2-1-3-6-4;2-1(3)4/h1-3H2;2H2,(H,3,4).
What are the key properties of carbamic acid;oxolan-2-one?
carbamic acid;oxolan-2-one has a molecular weight of 147.13 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;oxolan-2-one is sourced from PubChem (CID 174815288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).