3,4-dihydroquinolizin-2-imine

C9H10N2 — CID 57212041

IUPAC3,4-dihydroquinolizin-2-imine
SMILES[H]/N=C1/C=C2C=CC=CN2CC1
InChIInChI=1S/C9H10N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h1-3,5,7,10H,4,6H2/b10-8+
InChIKeyNZZPUJVURFRTCN-CSKARUKUSA-N
MW146.19 g/mol
LogP1.68
Rot. Bonds

About 3,4-dihydroquinolizin-2-imine

3,4-dihydroquinolizin-2-imine (PubChem CID 57212041) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3,4-dihydroquinolizin-2-imine.

Molecular Properties

Compound Name3,4-dihydroquinolizin-2-imine
PubChem CID57212041
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name3,4-dihydroquinolizin-2-imine
SMILES[H]/N=C1/C=C2C=CC=CN2CC1
InChIInChI=1S/C9H10N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h1-3,5,7,10H,4,6H2/b10-8+
InChIKeyNZZPUJVURFRTCN-CSKARUKUSA-N
XLogP1.68
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 ≤ 51.68
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
6,7-Dihydroindolo[2,3-a]quinolizine
CID 85538892
1-Azatricyclo[7.3.1.05,13]trideca-4,7,9(13),10-tetraen-3-imine
CID 57191331
1,4-Diazatricyclo[7.3.1.05,13]trideca-2,4,7,9(13),10-pentaene
CID 69345662
2-(1,2-Dihydropyridin-6-yl)-3,4-dihydropyridine
CID 89050135
2,4-Dimethyl-2,8-dihydroquinolizin-1-imine
CID 90985612
4,9a-Dihydroquinolizin-1-imine
CID 90992951
N,N-dimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 91094632
N,N-dimethyl-8-methylimino-6,7-dihydroquinolizin-1-amine
CID 123290942
1,5-Dihydroquinoxaline
CID 140422036
13-Azoniatricyclo[7.3.1.05,13]trideca-1,3,6,9(13),10-pentaene
CID 140836254

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroquinolizin-2-imine?
The IUPAC name of 3,4-dihydroquinolizin-2-imine (CID 57212041) is 3,4-dihydroquinolizin-2-imine.
What is the SMILES notation for 3,4-dihydroquinolizin-2-imine?
The canonical SMILES for 3,4-dihydroquinolizin-2-imine is [H]/N=C1/C=C2C=CC=CN2CC1.
What is the InChIKey of 3,4-dihydroquinolizin-2-imine?
The InChIKey is NZZPUJVURFRTCN-CSKARUKUSA-N. The full InChI is InChI=1S/C9H10N2/c10-8-4-6-11-5-2-1-3-9(11)7-8/h1-3,5,7,10H,4,6H2/b10-8+.
What are the key properties of 3,4-dihydroquinolizin-2-imine?
3,4-dihydroquinolizin-2-imine has a molecular weight of 146.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroquinolizin-2-imine is sourced from PubChem (CID 57212041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).