7-ethylcyclohepta-2,4-dien-1-imine

C9H13N — CID 123593258

IUPAC7-ethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CCC1CC
InChIInChI=1S/C9H13N/c1-2-8-6-4-3-5-7-9(8)10/h3-5,7-8,10H,2,6H2,1H3/b10-9+
InChIKeyFHJDOKLAIXAJSP-MDZDMXLPSA-N
MW135.21 g/mol
LogP2.55
Rot. Bonds1

About 7-ethylcyclohepta-2,4-dien-1-imine

7-ethylcyclohepta-2,4-dien-1-imine (PubChem CID 123593258) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 7-ethylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name7-ethylcyclohepta-2,4-dien-1-imine
PubChem CID123593258
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name7-ethylcyclohepta-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CCC1CC
InChIInChI=1S/C9H13N/c1-2-8-6-4-3-5-7-9(8)10/h3-5,7-8,10H,2,6H2,1H3/b10-9+
InChIKeyFHJDOKLAIXAJSP-MDZDMXLPSA-N
XLogP2.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.55
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 7-ethylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 7-ethylcyclohepta-2,4-dien-1-imine (CID 123593258) is 7-ethylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 7-ethylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 7-ethylcyclohepta-2,4-dien-1-imine is [H]/N=C1\C=CC=CCC1CC.
What is the InChIKey of 7-ethylcyclohepta-2,4-dien-1-imine?
The InChIKey is FHJDOKLAIXAJSP-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H13N/c1-2-8-6-4-3-5-7-9(8)10/h3-5,7-8,10H,2,6H2,1H3/b10-9+.
What are the key properties of 7-ethylcyclohepta-2,4-dien-1-imine?
7-ethylcyclohepta-2,4-dien-1-imine has a molecular weight of 135.21 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123593258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).