3-amino-5-ethenyl-2,3-dihydroinden-1-one

C11H11NO — CID 130001182

IUPAC3-amino-5-ethenyl-2,3-dihydroinden-1-one
SMILESC=Cc1ccc2c(c1)C(N)CC2=O
InChIInChI=1S/C11H11NO/c1-2-7-3-4-8-9(5-7)10(12)6-11(8)13/h2-5,10H,1,6,12H2
InChIKeySMSOSWGYEWHYHX-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.92
Rot. Bonds1

About 3-amino-5-ethenyl-2,3-dihydroinden-1-one

3-amino-5-ethenyl-2,3-dihydroinden-1-one (PubChem CID 130001182) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-amino-5-ethenyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-amino-5-ethenyl-2,3-dihydroinden-1-one
PubChem CID130001182
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-amino-5-ethenyl-2,3-dihydroinden-1-one
SMILESC=Cc1ccc2c(c1)C(N)CC2=O
InChIInChI=1S/C11H11NO/c1-2-7-3-4-8-9(5-7)10(12)6-11(8)13/h2-5,10H,1,6,12H2
InChIKeySMSOSWGYEWHYHX-UHFFFAOYSA-N
XLogP1.92
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethenyl-2,3-dihydroinden-1-one?
The IUPAC name of 3-amino-5-ethenyl-2,3-dihydroinden-1-one (CID 130001182) is 3-amino-5-ethenyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-amino-5-ethenyl-2,3-dihydroinden-1-one?
The canonical SMILES for 3-amino-5-ethenyl-2,3-dihydroinden-1-one is C=Cc1ccc2c(c1)C(N)CC2=O.
What is the InChIKey of 3-amino-5-ethenyl-2,3-dihydroinden-1-one?
The InChIKey is SMSOSWGYEWHYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-7-3-4-8-9(5-7)10(12)6-11(8)13/h2-5,10H,1,6,12H2.
What are the key properties of 3-amino-5-ethenyl-2,3-dihydroinden-1-one?
3-amino-5-ethenyl-2,3-dihydroinden-1-one has a molecular weight of 173.21 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethenyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 130001182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).