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

C9H9NO — CID 53324937

IUPAC1-amino-1,3-dihydroinden-2-one
SMILESNC1C(=O)Cc2ccccc21
InChIInChI=1S/C9H9NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,9H,5,10H2
InChIKeyHCRDTOBZDXBRAC-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.81
Rot. Bonds

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

1-amino-1,3-dihydroinden-2-one (PubChem CID 53324937) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 1-amino-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name1-amino-1,3-dihydroinden-2-one
PubChem CID53324937
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name1-amino-1,3-dihydroinden-2-one
SMILESNC1C(=O)Cc2ccccc21
InChIInChI=1S/C9H9NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,9H,5,10H2
InChIKeyHCRDTOBZDXBRAC-UHFFFAOYSA-N
XLogP0.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1,3-dihydroinden-2-one?
The IUPAC name of 1-amino-1,3-dihydroinden-2-one (CID 53324937) is 1-amino-1,3-dihydroinden-2-one.
What is the SMILES notation for 1-amino-1,3-dihydroinden-2-one?
The canonical SMILES for 1-amino-1,3-dihydroinden-2-one is NC1C(=O)Cc2ccccc21.
What is the InChIKey of 1-amino-1,3-dihydroinden-2-one?
The InChIKey is HCRDTOBZDXBRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,9H,5,10H2.
What are the key properties of 1-amino-1,3-dihydroinden-2-one?
1-amino-1,3-dihydroinden-2-one has a molecular weight of 147.18 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,3-dihydroinden-2-one is sourced from PubChem (CID 53324937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).