(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine

C11H13N — CID 118047640

IUPAC(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine
SMILESC[C@H]1CC=CC=C2N=CC=CC21
InChIInChI=1S/C11H13N/c1-9-5-2-3-7-11-10(9)6-4-8-12-11/h2-4,6-10H,5H2,1H3/t9-,10?/m0/s1
InChIKeyRGOVYKMWEIINCY-RGURZIINSA-N
MW159.23 g/mol
LogP2.72
Rot. Bonds

About (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine

(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine (PubChem CID 118047640) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine.

Molecular Properties

Compound Name(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine
PubChem CID118047640
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine
SMILESC[C@H]1CC=CC=C2N=CC=CC21
InChIInChI=1S/C11H13N/c1-9-5-2-3-7-11-10(9)6-4-8-12-11/h2-4,6-10H,5H2,1H3/t9-,10?/m0/s1
InChIKeyRGOVYKMWEIINCY-RGURZIINSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 90839723
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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine?
The IUPAC name of (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine (CID 118047640) is (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine.
What is the SMILES notation for (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine?
The canonical SMILES for (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine is C[C@H]1CC=CC=C2N=CC=CC21.
What is the InChIKey of (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine?
The InChIKey is RGOVYKMWEIINCY-RGURZIINSA-N. The full InChI is InChI=1S/C11H13N/c1-9-5-2-3-7-11-10(9)6-4-8-12-11/h2-4,6-10H,5H2,1H3/t9-,10?/m0/s1.
What are the key properties of (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine?
(5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine has a molecular weight of 159.23 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5,6-dihydro-4aH-cyclohepta[b]pyridine is sourced from PubChem (CID 118047640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).