[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium

C9H13N2O+ — CID 7392382

IUPAC[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium
SMILES[NH3+][C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)/p+1/t7-/m0/s1
InChIKeyCEXVAVXEVFFVEE-ZETCQYMHSA-O
MW165.22 g/mol
LogP-0.01
Rot. Bonds

About [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium

[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium (PubChem CID 7392382) has the molecular formula C9H13N2O+ and a molecular weight of 165.22 g/mol. Its IUPAC name is [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium.

Molecular Properties

Compound Name[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium
PubChem CID7392382
Molecular FormulaC9H13N2O+
Molecular Weight165.22 g/mol
Exact Mass165.10
IUPAC Name[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium
SMILES[NH3+][C@H]1CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)/p+1/t7-/m0/s1
InChIKeyCEXVAVXEVFFVEE-ZETCQYMHSA-O
XLogP-0.01
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium?
The IUPAC name of [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium (CID 7392382) is [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium.
What is the SMILES notation for [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium?
The canonical SMILES for [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium is [NH3+][C@H]1CCCc2[nH]c(=O)ccc21.
What is the InChIKey of [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium?
The InChIKey is CEXVAVXEVFFVEE-ZETCQYMHSA-O. The full InChI is InChI=1S/C9H12N2O/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h4-5,7H,1-3,10H2,(H,11,12)/p+1/t7-/m0/s1.
What are the key properties of [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium?
[(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium has a molecular weight of 165.22 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl]azanium is sourced from PubChem (CID 7392382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).