3,4-dihydroquinolizin-2-one;hydrochloride

C9H10ClNO — CID 23199174

IUPAC3,4-dihydroquinolizin-2-one;hydrochloride
SMILESCl.O=C1C=C2C=CC=CN2CC1
InChIInChI=1S/C9H9NO.ClH/c11-9-4-6-10-5-2-1-3-8(10)7-9;/h1-3,5,7H,4,6H2;1H
InChIKeyYHUJJXJNEVEYGS-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.65
Rot. Bonds

About 3,4-dihydroquinolizin-2-one;hydrochloride

3,4-dihydroquinolizin-2-one;hydrochloride (PubChem CID 23199174) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 3,4-dihydroquinolizin-2-one;hydrochloride.

Molecular Properties

Compound Name3,4-dihydroquinolizin-2-one;hydrochloride
PubChem CID23199174
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name3,4-dihydroquinolizin-2-one;hydrochloride
SMILESCl.O=C1C=C2C=CC=CN2CC1
InChIInChI=1S/C9H9NO.ClH/c11-9-4-6-10-5-2-1-3-8(10)7-9;/h1-3,5,7H,4,6H2;1H
InChIKeyYHUJJXJNEVEYGS-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroquinolizin-2-one;hydrochloride?
The IUPAC name of 3,4-dihydroquinolizin-2-one;hydrochloride (CID 23199174) is 3,4-dihydroquinolizin-2-one;hydrochloride.
What is the SMILES notation for 3,4-dihydroquinolizin-2-one;hydrochloride?
The canonical SMILES for 3,4-dihydroquinolizin-2-one;hydrochloride is Cl.O=C1C=C2C=CC=CN2CC1.
What is the InChIKey of 3,4-dihydroquinolizin-2-one;hydrochloride?
The InChIKey is YHUJJXJNEVEYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.ClH/c11-9-4-6-10-5-2-1-3-8(10)7-9;/h1-3,5,7H,4,6H2;1H.
What are the key properties of 3,4-dihydroquinolizin-2-one;hydrochloride?
3,4-dihydroquinolizin-2-one;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroquinolizin-2-one;hydrochloride is sourced from PubChem (CID 23199174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).