3-imino-1H-inden-2-one

C9H7NO — CID 142098046

IUPAC3-imino-1H-inden-2-one
SMILES[H]/N=C1\C(=O)Cc2ccccc21
InChIInChI=1S/C9H7NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,10H,5H2/b10-9-
InChIKeyOTSRPHATAFZAHQ-KTKRTIGZSA-N
MW145.16 g/mol
LogP1.18
Rot. Bonds

About 3-imino-1H-inden-2-one

3-imino-1H-inden-2-one (PubChem CID 142098046) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-imino-1H-inden-2-one.

Molecular Properties

Compound Name3-imino-1H-inden-2-one
PubChem CID142098046
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name3-imino-1H-inden-2-one
SMILES[H]/N=C1\C(=O)Cc2ccccc21
InChIInChI=1S/C9H7NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,10H,5H2/b10-9-
InChIKeyOTSRPHATAFZAHQ-KTKRTIGZSA-N
XLogP1.18
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-imino-1H-inden-2-one?
The IUPAC name of 3-imino-1H-inden-2-one (CID 142098046) is 3-imino-1H-inden-2-one.
What is the SMILES notation for 3-imino-1H-inden-2-one?
The canonical SMILES for 3-imino-1H-inden-2-one is [H]/N=C1\C(=O)Cc2ccccc21.
What is the InChIKey of 3-imino-1H-inden-2-one?
The InChIKey is OTSRPHATAFZAHQ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H7NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h1-4,10H,5H2/b10-9-.
What are the key properties of 3-imino-1H-inden-2-one?
3-imino-1H-inden-2-one has a molecular weight of 145.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1H-inden-2-one is sourced from PubChem (CID 142098046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).