7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole

C10H12N2 — CID 134972360

IUPAC7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole
SMILESC1=C2Cn3ccnc3C2CCC1
InChIInChI=1S/C10H12N2/c1-2-4-9-8(3-1)7-12-6-5-11-10(9)12/h3,5-6,9H,1-2,4,7H2
InChIKeyCPWCZVXLDAOANC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.09
Rot. Bonds

About 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole

7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole (PubChem CID 134972360) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole.

Molecular Properties

Compound Name7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole
PubChem CID134972360
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole
SMILESC1=C2Cn3ccnc3C2CCC1
InChIInChI=1S/C10H12N2/c1-2-4-9-8(3-1)7-12-6-5-11-10(9)12/h3,5-6,9H,1-2,4,7H2
InChIKeyCPWCZVXLDAOANC-UHFFFAOYSA-N
XLogP2.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(2-ethylcyclopentylidene)methyl]-1-methylimidazole
CID 10987073
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
rac-(3aR,7aS)-2-[2-(2-ethyl-1H-imidazol-1-yl)-1-methylethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 132409145
2-(Cyclohexen-1-yl)-1-methylimidazole
CID 44195338
1-Methyl-2-[3-(1-methylimidazol-2-yl)cyclohex-3-en-1-yl]imidazole
CID 123582136
[6-methyl-5-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium-1-yl] thiohypofluorite
CID 142091423
2-(2,6-Dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
CID 151519521
(cyclohex-3-en-1-ylmethyl)isopropyl[(1-methyl-1H-imidazol-2-yl)methyl]amine
CID 50951875
(3aR*,7aS*)-2-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56917890
1-methyl-2-[(Z)-(3-methylcyclopentylidene)methyl]imidazole
CID 23257778
2-(bicyclo[2.2.1]hept-5-en-2-yl)-1-methyl-1H-imidazole
CID 91704253
1-(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)imidazole
CID 12899697

Frequently Asked Questions

What is the IUPAC name of 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole?
The IUPAC name of 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole (CID 134972360) is 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole.
What is the SMILES notation for 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole?
The canonical SMILES for 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole is C1=C2Cn3ccnc3C2CCC1.
What is the InChIKey of 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole?
The InChIKey is CPWCZVXLDAOANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-9-8(3-1)7-12-6-5-11-10(9)12/h3,5-6,9H,1-2,4,7H2.
What are the key properties of 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole?
7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole has a molecular weight of 160.22 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,9a-tetrahydro-5H-imidazo[2,1-a]isoindole is sourced from PubChem (CID 134972360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).