4a,4b,8a,9a-tetrahydrofluoren-9-imine

C13H13N — CID 134170096

IUPAC4a,4b,8a,9a-tetrahydrofluoren-9-imine
SMILES[H]N=C1C2C=CC=CC2C2C=CC=CC12
InChIInChI=1S/C13H13N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-12,14H
InChIKeyIAJSAUSSKMZETJ-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.74
Rot. Bonds

About 4a,4b,8a,9a-tetrahydrofluoren-9-imine

4a,4b,8a,9a-tetrahydrofluoren-9-imine (PubChem CID 134170096) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 4a,4b,8a,9a-tetrahydrofluoren-9-imine.

Molecular Properties

Compound Name4a,4b,8a,9a-tetrahydrofluoren-9-imine
PubChem CID134170096
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name4a,4b,8a,9a-tetrahydrofluoren-9-imine
SMILES[H]N=C1C2C=CC=CC2C2C=CC=CC12
InChIInChI=1S/C13H13N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-12,14H
InChIKeyIAJSAUSSKMZETJ-UHFFFAOYSA-N
XLogP2.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4a,9a-dihydro-4H-benzo[a]azulen-10-imine
CID 18671418
3,4,4a,4b,8a,9a-Hexahydrofluoren-9-imine
CID 89317268
1,2,3,3a,7,7a-Hexahydroinden-4-imine
CID 90957522
5,6b,10a,10c-tetrahydro-2H-fluoranthen-3-imine
CID 123773831
3-ethenyl-N-methyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
CID 145123078
3-ethenyl-2-[(Z)-prop-1-enyl]-2,3,3a,7a-tetrahydroinden-1-imine
CID 145284089
(1S,2S,7R,8R)-tricyclo[6.2.1.02,7]undec-9-en-11-imine
CID 102035380

Frequently Asked Questions

What is the IUPAC name of 4a,4b,8a,9a-tetrahydrofluoren-9-imine?
The IUPAC name of 4a,4b,8a,9a-tetrahydrofluoren-9-imine (CID 134170096) is 4a,4b,8a,9a-tetrahydrofluoren-9-imine.
What is the SMILES notation for 4a,4b,8a,9a-tetrahydrofluoren-9-imine?
The canonical SMILES for 4a,4b,8a,9a-tetrahydrofluoren-9-imine is [H]N=C1C2C=CC=CC2C2C=CC=CC12.
What is the InChIKey of 4a,4b,8a,9a-tetrahydrofluoren-9-imine?
The InChIKey is IAJSAUSSKMZETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-12,14H.
What are the key properties of 4a,4b,8a,9a-tetrahydrofluoren-9-imine?
4a,4b,8a,9a-tetrahydrofluoren-9-imine has a molecular weight of 183.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,4b,8a,9a-tetrahydrofluoren-9-imine is sourced from PubChem (CID 134170096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).