benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate

C15H18N2O2 — CID 90204036

IUPACbenzyl N-(2-cyano-2-cyclopropylpropyl)carbamate
SMILESCC(C#N)(CNC(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C15H18N2O2/c1-15(10-16,13-7-8-13)11-17-14(18)19-9-12-5-3-2-4-6-12/h2-6,13H,7-9,11H2,1H3,(H,17,18)
InChIKeyKPJNTRZQQCHISZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.85
Rot. Bonds5

About benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate

benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate (PubChem CID 90204036) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-cyano-2-cyclopropylpropyl)carbamate
PubChem CID90204036
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namebenzyl N-(2-cyano-2-cyclopropylpropyl)carbamate
SMILESCC(C#N)(CNC(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C15H18N2O2/c1-15(10-16,13-7-8-13)11-17-14(18)19-9-12-5-3-2-4-6-12/h2-6,13H,7-9,11H2,1H3,(H,17,18)
InChIKeyKPJNTRZQQCHISZ-UHFFFAOYSA-N
XLogP2.85
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
CID 124845856
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-(2-isocyano-2-methylpropyl)carbamate
CID 66524050
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
benzyl N-(4-bromo-2-ethyl-2-methyl-3-oxobutyl)carbamate
CID 104701872
benzyl N-[4-(4-hydroxypiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 68594622
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate?
The IUPAC name of benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate (CID 90204036) is benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate.
What is the SMILES notation for benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate?
The canonical SMILES for benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate is CC(C#N)(CNC(=O)OCc1ccccc1)C1CC1.
What is the InChIKey of benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate?
The InChIKey is KPJNTRZQQCHISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(10-16,13-7-8-13)11-17-14(18)19-9-12-5-3-2-4-6-12/h2-6,13H,7-9,11H2,1H3,(H,17,18).
What are the key properties of benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate?
benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate has a molecular weight of 258.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-cyano-2-cyclopropylpropyl)carbamate is sourced from PubChem (CID 90204036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).