4a,9a-dihydro-4H-benzo[a]azulen-10-imine

C14H13N — CID 18671418

IUPAC4a,9a-dihydro-4H-benzo[a]azulen-10-imine
SMILES[H]/N=C1\C2=CC=CCC2C2=CC=CC=CC21
InChIInChI=1S/C14H13N/c15-14-12-8-3-1-2-6-10(12)11-7-4-5-9-13(11)14/h1-6,8-9,11-12,15H,7H2/b15-14-
InChIKeyFZZFYWQEQZRXEL-PFONDFGASA-N
MW195.27 g/mol
LogP3.19
Rot. Bonds

About 4a,9a-dihydro-4H-benzo[a]azulen-10-imine

4a,9a-dihydro-4H-benzo[a]azulen-10-imine (PubChem CID 18671418) has the molecular formula C14H13N and a molecular weight of 195.27 g/mol. Its IUPAC name is 4a,9a-dihydro-4H-benzo[a]azulen-10-imine.

Molecular Properties

Compound Name4a,9a-dihydro-4H-benzo[a]azulen-10-imine
PubChem CID18671418
Molecular FormulaC14H13N
Molecular Weight195.27 g/mol
Exact Mass195.10
IUPAC Name4a,9a-dihydro-4H-benzo[a]azulen-10-imine
SMILES[H]/N=C1\C2=CC=CCC2C2=CC=CC=CC21
InChIInChI=1S/C14H13N/c15-14-12-8-3-1-2-6-10(12)11-7-4-5-9-13(11)14/h1-6,8-9,11-12,15H,7H2/b15-14-
InChIKeyFZZFYWQEQZRXEL-PFONDFGASA-N
XLogP3.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4a,9a-dihydro-4H-benzo[a]azulen-10-imine?
The IUPAC name of 4a,9a-dihydro-4H-benzo[a]azulen-10-imine (CID 18671418) is 4a,9a-dihydro-4H-benzo[a]azulen-10-imine.
What is the SMILES notation for 4a,9a-dihydro-4H-benzo[a]azulen-10-imine?
The canonical SMILES for 4a,9a-dihydro-4H-benzo[a]azulen-10-imine is [H]/N=C1\C2=CC=CCC2C2=CC=CC=CC21.
What is the InChIKey of 4a,9a-dihydro-4H-benzo[a]azulen-10-imine?
The InChIKey is FZZFYWQEQZRXEL-PFONDFGASA-N. The full InChI is InChI=1S/C14H13N/c15-14-12-8-3-1-2-6-10(12)11-7-4-5-9-13(11)14/h1-6,8-9,11-12,15H,7H2/b15-14-.
What are the key properties of 4a,9a-dihydro-4H-benzo[a]azulen-10-imine?
4a,9a-dihydro-4H-benzo[a]azulen-10-imine has a molecular weight of 195.27 g/mol, XLogP of 3.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,9a-dihydro-4H-benzo[a]azulen-10-imine is sourced from PubChem (CID 18671418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).