(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one

C10H12N2O — CID 159433831

IUPAC(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one
SMILESN[C@H]1CCc2cccnc2CC1=O
InChIInChI=1S/C10H12N2O/c11-8-4-3-7-2-1-5-12-9(7)6-10(8)13/h1-2,5,8H,3-4,6,11H2/t8-/m0/s1
InChIKeyFEUDITNZUIYJDO-QMMMGPOBSA-N
MW176.22 g/mol
LogP0.47
Rot. Bonds

About (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one

(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one (PubChem CID 159433831) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one.

Molecular Properties

Compound Name(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one
PubChem CID159433831
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one
SMILESN[C@H]1CCc2cccnc2CC1=O
InChIInChI=1S/C10H12N2O/c11-8-4-3-7-2-1-5-12-9(7)6-10(8)13/h1-2,5,8H,3-4,6,11H2/t8-/m0/s1
InChIKeyFEUDITNZUIYJDO-QMMMGPOBSA-N
XLogP0.47
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 24975348
(7S)-7-amino-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 71453803
5,6,7,8-tetrahydroquinolin-7-amine;hydrochloride
CID 156621052
7-amino-4-pyridin-3-yl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183618
7-amino-9-methyl-6,7-dihydro-5H-pyrido[2,3-b]azepin-8-one
CID 130314087
6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-7-ylmethanamine
CID 123242170
7-amino-4-(6-methyl-3-pyridinyl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
CID 122183620
5-methyl-5,7-dihydrocyclopenta[b]pyridin-6-one
CID 134558287
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
6-amino-6,7-dihydrocyclopenta[b]pyridin-5-one
CID 84649209
2-azabicyclo[4.1.0]hepta-1(6),2,4-triene;formic acid
CID 174744482
(7S)-7-tert-butyl-5,6,7,8-tetrahydroquinoline
CID 69281697

Frequently Asked Questions

What is the IUPAC name of (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one?
The IUPAC name of (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one (CID 159433831) is (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one.
What is the SMILES notation for (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one?
The canonical SMILES for (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one is N[C@H]1CCc2cccnc2CC1=O.
What is the InChIKey of (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one?
The InChIKey is FEUDITNZUIYJDO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-4-3-7-2-1-5-12-9(7)6-10(8)13/h1-2,5,8H,3-4,6,11H2/t8-/m0/s1.
What are the key properties of (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one?
(7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one has a molecular weight of 176.22 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-amino-5,6,7,9-tetrahydrocyclohepta[b]pyridin-8-one is sourced from PubChem (CID 159433831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).