benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate

C19H24N2O2 — CID 146598505

IUPACbenzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC2(CC1)CC(C#N)C2
InChIInChI=1S/C19H24N2O2/c1-21(18(22)23-14-15-5-3-2-4-6-15)17-7-9-19(10-8-17)11-16(12-19)13-20/h2-6,16-17H,7-12,14H2,1H3
InChIKeyNNRXVERKOSLVEF-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.12
Rot. Bonds3

About benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate

benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate (PubChem CID 146598505) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate
PubChem CID146598505
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Namebenzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)C1CCC2(CC1)CC(C#N)C2
InChIInChI=1S/C19H24N2O2/c1-21(18(22)23-14-15-5-3-2-4-6-15)17-7-9-19(10-8-17)11-16(12-19)13-20/h2-6,16-17H,7-12,14H2,1H3
InChIKeyNNRXVERKOSLVEF-UHFFFAOYSA-N
XLogP4.12
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate?
The IUPAC name of benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate (CID 146598505) is benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate.
What is the SMILES notation for benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate?
The canonical SMILES for benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate is CN(C(=O)OCc1ccccc1)C1CCC2(CC1)CC(C#N)C2.
What is the InChIKey of benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate?
The InChIKey is NNRXVERKOSLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-21(18(22)23-14-15-5-3-2-4-6-15)17-7-9-19(10-8-17)11-16(12-19)13-20/h2-6,16-17H,7-12,14H2,1H3.
What are the key properties of benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate?
benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate has a molecular weight of 312.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-cyanospiro[3.5]nonan-7-yl)-N-methylcarbamate is sourced from PubChem (CID 146598505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).