benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate

C14H17NO4 — CID 74929537

IUPACbenzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
SMILESCC1(C)CC(NC(=O)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO4/c1-14(2)8-11(12(16)19-14)15-13(17)18-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17)
InChIKeyKWNDZSJEZBTGAF-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.01
Rot. Bonds3

About benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate

benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate (PubChem CID 74929537) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
PubChem CID74929537
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namebenzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate
SMILESCC1(C)CC(NC(=O)OCc2ccccc2)C(=O)O1
InChIInChI=1S/C14H17NO4/c1-14(2)8-11(12(16)19-14)15-13(17)18-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17)
InChIKeyKWNDZSJEZBTGAF-UHFFFAOYSA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate?
The IUPAC name of benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate (CID 74929537) is benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate.
What is the SMILES notation for benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate?
The canonical SMILES for benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate is CC1(C)CC(NC(=O)OCc2ccccc2)C(=O)O1.
What is the InChIKey of benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate?
The InChIKey is KWNDZSJEZBTGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2)8-11(12(16)19-14)15-13(17)18-9-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,15,17).
What are the key properties of benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate?
benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate has a molecular weight of 263.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5,5-dimethyl-2-oxooxolan-3-yl)carbamate is sourced from PubChem (CID 74929537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).