benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate

C18H23NO2 — CID 86087222

IUPACbenzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate
SMILESC=C1CC2CC(C1)CC(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C18H23NO2/c1-13-7-15-9-16(8-13)11-17(10-15)19-18(20)21-12-14-5-3-2-4-6-14/h2-6,15-17H,1,7-12H2,(H,19,20)
InChIKeyAPSSOMQDSJGJTA-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.05
Rot. Bonds3

About benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate

benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate (PubChem CID 86087222) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate
PubChem CID86087222
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namebenzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate
SMILESC=C1CC2CC(C1)CC(NC(=O)OCc1ccccc1)C2
InChIInChI=1S/C18H23NO2/c1-13-7-15-9-16(8-13)11-17(10-15)19-18(20)21-12-14-5-3-2-4-6-14/h2-6,15-17H,1,7-12H2,(H,19,20)
InChIKeyAPSSOMQDSJGJTA-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate?
The IUPAC name of benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate (CID 86087222) is benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate.
What is the SMILES notation for benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate?
The canonical SMILES for benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate is C=C1CC2CC(C1)CC(NC(=O)OCc1ccccc1)C2.
What is the InChIKey of benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate?
The InChIKey is APSSOMQDSJGJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-7-15-9-16(8-13)11-17(10-15)19-18(20)21-12-14-5-3-2-4-6-14/h2-6,15-17H,1,7-12H2,(H,19,20).
What are the key properties of benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate?
benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate has a molecular weight of 285.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(7-methylidene-3-bicyclo[3.3.1]nonanyl)carbamate is sourced from PubChem (CID 86087222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).