4,9a-dihydroquinolizin-1-imine

C9H10N2 — CID 90992951

IUPAC4,9a-dihydroquinolizin-1-imine
SMILES[H]/N=C1\C=CCN2C=CC=CC12
InChIInChI=1S/C9H10N2/c10-8-4-3-7-11-6-2-1-5-9(8)11/h1-6,9-10H,7H2/b10-8+
InChIKeyFIZIXNPGUOQVOJ-CSKARUKUSA-N
MW146.19 g/mol
LogP1.33
Rot. Bonds

About 4,9a-dihydroquinolizin-1-imine

4,9a-dihydroquinolizin-1-imine (PubChem CID 90992951) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 4,9a-dihydroquinolizin-1-imine.

Molecular Properties

Compound Name4,9a-dihydroquinolizin-1-imine
PubChem CID90992951
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name4,9a-dihydroquinolizin-1-imine
SMILES[H]/N=C1\C=CCN2C=CC=CC12
InChIInChI=1S/C9H10N2/c10-8-4-3-7-11-6-2-1-5-9(8)11/h1-6,9-10H,7H2/b10-8+
InChIKeyFIZIXNPGUOQVOJ-CSKARUKUSA-N
XLogP1.33
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,6-Dihydrobenzo[a]quinolizin-2-imine
CID 91293056
N-propan-2-yl-3,4-dihydroquinolizin-2-imine
CID 145918539
1,8a-Dihydroquinoxaline
CID 21990073
3,4-Dihydroquinolizin-2-imine
CID 57212041
N,N-dimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 91094632
(1-propyl-2H-pyridin-2-yl)methanimine
CID 140704241
13-Azoniatricyclo[7.3.1.05,13]trideca-1,3,6,9(13),10-pentaene
CID 140836254
3-Methyl-1,8a-dihydroquinoxaline
CID 141970301
1,8a-Dihydroquinoxaline;ethane
CID 144316378
3,4-dimethyl-4aH-quinoxaline
CID 149289450
(E)-[(8aS)-1-methyl-3-methylidene-8aH-quinoxalin-2-ylidene]methanamine
CID 156395215
1-Methyl-4a,8a-dihydroquinolin-4-imine
CID 163905803

Frequently Asked Questions

What is the IUPAC name of 4,9a-dihydroquinolizin-1-imine?
The IUPAC name of 4,9a-dihydroquinolizin-1-imine (CID 90992951) is 4,9a-dihydroquinolizin-1-imine.
What is the SMILES notation for 4,9a-dihydroquinolizin-1-imine?
The canonical SMILES for 4,9a-dihydroquinolizin-1-imine is [H]/N=C1\C=CCN2C=CC=CC12.
What is the InChIKey of 4,9a-dihydroquinolizin-1-imine?
The InChIKey is FIZIXNPGUOQVOJ-CSKARUKUSA-N. The full InChI is InChI=1S/C9H10N2/c10-8-4-3-7-11-6-2-1-5-9(8)11/h1-6,9-10H,7H2/b10-8+.
What are the key properties of 4,9a-dihydroquinolizin-1-imine?
4,9a-dihydroquinolizin-1-imine has a molecular weight of 146.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9a-dihydroquinolizin-1-imine is sourced from PubChem (CID 90992951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).