benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate

C13H16N2O2 — CID 66510802

IUPACbenzyl N-(1-cyano-2-methylpropan-2-yl)carbamate
SMILESCC(C)(CC#N)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-13(2,8-9-14)15-12(16)17-10-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16)
InChIKeySNRLEYUDOZNHMI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.61
Rot. Bonds4

About benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate

benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate (PubChem CID 66510802) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-cyano-2-methylpropan-2-yl)carbamate
PubChem CID66510802
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namebenzyl N-(1-cyano-2-methylpropan-2-yl)carbamate
SMILESCC(C)(CC#N)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-13(2,8-9-14)15-12(16)17-10-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16)
InChIKeySNRLEYUDOZNHMI-UHFFFAOYSA-N
XLogP2.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate (CID 66510802) is benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate is CC(C)(CC#N)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate?
The InChIKey is SNRLEYUDOZNHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,8-9-14)15-12(16)17-10-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16).
What are the key properties of benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate?
benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate has a molecular weight of 232.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate is sourced from PubChem (CID 66510802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).