(5-oxooxolan-3-yl) carbamate

C5H7NO4 — CID 22258542

IUPAC(5-oxooxolan-3-yl) carbamate
SMILESNC(=O)OC1COC(=O)C1
InChIInChI=1S/C5H7NO4/c6-5(8)10-3-1-4(7)9-2-3/h3H,1-2H2,(H2,6,8)
InChIKeyZDQGNIZECJKGLC-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.60
Rot. Bonds1

About (5-oxooxolan-3-yl) carbamate

(5-oxooxolan-3-yl) carbamate (PubChem CID 22258542) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (5-oxooxolan-3-yl) carbamate.

Molecular Properties

Compound Name(5-oxooxolan-3-yl) carbamate
PubChem CID22258542
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(5-oxooxolan-3-yl) carbamate
SMILESNC(=O)OC1COC(=O)C1
InChIInChI=1S/C5H7NO4/c6-5(8)10-3-1-4(7)9-2-3/h3H,1-2H2,(H2,6,8)
InChIKeyZDQGNIZECJKGLC-UHFFFAOYSA-N
XLogP-0.60
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-3-yl) carbamate?
The IUPAC name of (5-oxooxolan-3-yl) carbamate (CID 22258542) is (5-oxooxolan-3-yl) carbamate.
What is the SMILES notation for (5-oxooxolan-3-yl) carbamate?
The canonical SMILES for (5-oxooxolan-3-yl) carbamate is NC(=O)OC1COC(=O)C1.
What is the InChIKey of (5-oxooxolan-3-yl) carbamate?
The InChIKey is ZDQGNIZECJKGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c6-5(8)10-3-1-4(7)9-2-3/h3H,1-2H2,(H2,6,8).
What are the key properties of (5-oxooxolan-3-yl) carbamate?
(5-oxooxolan-3-yl) carbamate has a molecular weight of 145.11 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-3-yl) carbamate is sourced from PubChem (CID 22258542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).