propan-2-yl N-(1,3-dioxolan-4-yl)carbamate

C7H13NO4 — CID 173075539

IUPACpropan-2-yl N-(1,3-dioxolan-4-yl)carbamate
SMILESCC(C)OC(=O)NC1COCO1
InChIInChI=1S/C7H13NO4/c1-5(2)12-7(9)8-6-3-10-4-11-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyZAEFIFDXANVLMP-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.45
Rot. Bonds2

About propan-2-yl N-(1,3-dioxolan-4-yl)carbamate

propan-2-yl N-(1,3-dioxolan-4-yl)carbamate (PubChem CID 173075539) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is propan-2-yl N-(1,3-dioxolan-4-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(1,3-dioxolan-4-yl)carbamate
PubChem CID173075539
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namepropan-2-yl N-(1,3-dioxolan-4-yl)carbamate
SMILESCC(C)OC(=O)NC1COCO1
InChIInChI=1S/C7H13NO4/c1-5(2)12-7(9)8-6-3-10-4-11-6/h5-6H,3-4H2,1-2H3,(H,8,9)
InChIKeyZAEFIFDXANVLMP-UHFFFAOYSA-N
XLogP0.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(1,3-dioxolan-4-yl)carbamate?
The IUPAC name of propan-2-yl N-(1,3-dioxolan-4-yl)carbamate (CID 173075539) is propan-2-yl N-(1,3-dioxolan-4-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(1,3-dioxolan-4-yl)carbamate?
The canonical SMILES for propan-2-yl N-(1,3-dioxolan-4-yl)carbamate is CC(C)OC(=O)NC1COCO1.
What is the InChIKey of propan-2-yl N-(1,3-dioxolan-4-yl)carbamate?
The InChIKey is ZAEFIFDXANVLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(2)12-7(9)8-6-3-10-4-11-6/h5-6H,3-4H2,1-2H3,(H,8,9).
What are the key properties of propan-2-yl N-(1,3-dioxolan-4-yl)carbamate?
propan-2-yl N-(1,3-dioxolan-4-yl)carbamate has a molecular weight of 175.18 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(1,3-dioxolan-4-yl)carbamate is sourced from PubChem (CID 173075539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).