5-ethenyl-2,3-dihydroinden-1-imine

C11H11N — CID 134222162

IUPAC5-ethenyl-2,3-dihydroinden-1-imine
SMILES[H]/N=C1\CCc2cc(C=C)ccc21
InChIInChI=1S/C11H11N/c1-2-8-3-5-10-9(7-8)4-6-11(10)12/h2-3,5,7,12H,1,4,6H2/b12-11+
InChIKeyXTZZROAFCODMIV-VAWYXSNFSA-N
MW157.22 g/mol
LogP2.64
Rot. Bonds1

About 5-ethenyl-2,3-dihydroinden-1-imine

5-ethenyl-2,3-dihydroinden-1-imine (PubChem CID 134222162) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 5-ethenyl-2,3-dihydroinden-1-imine.

Molecular Properties

Compound Name5-ethenyl-2,3-dihydroinden-1-imine
PubChem CID134222162
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name5-ethenyl-2,3-dihydroinden-1-imine
SMILES[H]/N=C1\CCc2cc(C=C)ccc21
InChIInChI=1S/C11H11N/c1-2-8-3-5-10-9(7-8)4-6-11(10)12/h2-3,5,7,12H,1,4,6H2/b12-11+
InChIKeyXTZZROAFCODMIV-VAWYXSNFSA-N
XLogP2.64
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.64
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 5-ethenyl-2,3-dihydroinden-1-imine?
The IUPAC name of 5-ethenyl-2,3-dihydroinden-1-imine (CID 134222162) is 5-ethenyl-2,3-dihydroinden-1-imine.
What is the SMILES notation for 5-ethenyl-2,3-dihydroinden-1-imine?
The canonical SMILES for 5-ethenyl-2,3-dihydroinden-1-imine is [H]/N=C1\CCc2cc(C=C)ccc21.
What is the InChIKey of 5-ethenyl-2,3-dihydroinden-1-imine?
The InChIKey is XTZZROAFCODMIV-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H11N/c1-2-8-3-5-10-9(7-8)4-6-11(10)12/h2-3,5,7,12H,1,4,6H2/b12-11+.
What are the key properties of 5-ethenyl-2,3-dihydroinden-1-imine?
5-ethenyl-2,3-dihydroinden-1-imine has a molecular weight of 157.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2,3-dihydroinden-1-imine is sourced from PubChem (CID 134222162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).