3,4-dihydroquinolizin-2-one

C9H9NO — CID 19840729

IUPAC3,4-dihydroquinolizin-2-one
SMILESO=C1C=C2C=CC=CN2CC1
InChIInChI=1S/C9H9NO/c11-9-4-6-10-5-2-1-3-8(10)7-9/h1-3,5,7H,4,6H2
InChIKeyNMWAIKIEMRIMHM-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.23
Rot. Bonds

About 3,4-dihydroquinolizin-2-one

3,4-dihydroquinolizin-2-one (PubChem CID 19840729) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 3,4-dihydroquinolizin-2-one.

Molecular Properties

Compound Name3,4-dihydroquinolizin-2-one
PubChem CID19840729
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name3,4-dihydroquinolizin-2-one
SMILESO=C1C=C2C=CC=CN2CC1
InChIInChI=1S/C9H9NO/c11-9-4-6-10-5-2-1-3-8(10)7-9/h1-3,5,7H,4,6H2
InChIKeyNMWAIKIEMRIMHM-UHFFFAOYSA-N
XLogP1.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.23
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?
The IUPAC name of 3,4-dihydroquinolizin-2-one (CID 19840729) is 3,4-dihydroquinolizin-2-one.
What is the SMILES notation for 3,4-dihydroquinolizin-2-one?
The canonical SMILES for 3,4-dihydroquinolizin-2-one is O=C1C=C2C=CC=CN2CC1.
What is the InChIKey of 3,4-dihydroquinolizin-2-one?
The InChIKey is NMWAIKIEMRIMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c11-9-4-6-10-5-2-1-3-8(10)7-9/h1-3,5,7H,4,6H2.
What are the key properties of 3,4-dihydroquinolizin-2-one?
3,4-dihydroquinolizin-2-one has a molecular weight of 147.18 g/mol, XLogP of 1.23, 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 is sourced from PubChem (CID 19840729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).