6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate

C17H18N2O2 — CID 2824416

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCCCc2cccnc21
InChIInChI=1S/C17H18N2O2/c20-17(19-14-9-2-1-3-10-14)21-15-11-5-4-7-13-8-6-12-18-16(13)15/h1-3,6,8-10,12,15H,4-5,7,11H2,(H,19,20)
InChIKeyNLDVJSPNIOMLOR-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.10
Rot. Bonds2

About 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate

6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate (PubChem CID 2824416) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate
PubChem CID2824416
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCCCc2cccnc21
InChIInChI=1S/C17H18N2O2/c20-17(19-14-9-2-1-3-10-14)21-15-11-5-4-7-13-8-6-12-18-16(13)15/h1-3,6,8-10,12,15H,4-5,7,11H2,(H,19,20)
InChIKeyNLDVJSPNIOMLOR-UHFFFAOYSA-N
XLogP4.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate (CID 2824416) is 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate is O=C(Nc1ccccc1)OC1CCCCc2cccnc21.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate?
The InChIKey is NLDVJSPNIOMLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(19-14-9-2-1-3-10-14)21-15-11-5-4-7-13-8-6-12-18-16(13)15/h1-3,6,8-10,12,15H,4-5,7,11H2,(H,19,20).
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate?
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate has a molecular weight of 282.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-phenylcarbamate is sourced from PubChem (CID 2824416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).