6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate

C17H17ClN2O2 — CID 2824418

IUPAC6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC1CCCCc2cccnc21
InChIInChI=1S/C17H17ClN2O2/c18-13-7-3-8-14(11-13)20-17(21)22-15-9-2-1-5-12-6-4-10-19-16(12)15/h3-4,6-8,10-11,15H,1-2,5,9H2,(H,20,21)
InChIKeyZOWODTCBBJTMLD-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.75
Rot. Bonds2

About 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate

6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate (PubChem CID 2824418) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate
PubChem CID2824418
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)OC1CCCCc2cccnc21
InChIInChI=1S/C17H17ClN2O2/c18-13-7-3-8-14(11-13)20-17(21)22-15-9-2-1-5-12-6-4-10-19-16(12)15/h3-4,6-8,10-11,15H,1-2,5,9H2,(H,20,21)
InChIKeyZOWODTCBBJTMLD-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate?
The IUPAC name of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate (CID 2824418) is 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)OC1CCCCc2cccnc21.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate?
The InChIKey is ZOWODTCBBJTMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-13-7-3-8-14(11-13)20-17(21)22-15-9-2-1-5-12-6-4-10-19-16(12)15/h3-4,6-8,10-11,15H,1-2,5,9H2,(H,20,21).
What are the key properties of 6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate?
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl N-(3-chlorophenyl)carbamate has a molecular weight of 316.79 g/mol, XLogP of 4.75, 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-(3-chlorophenyl)carbamate is sourced from PubChem (CID 2824418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).