(2E)-2-(aminomethylidene)-3H-inden-1-one

C10H9NO — CID 3037167

IUPAC(2E)-2-(aminomethylidene)-3H-inden-1-one
SMILESN/C=C1\Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6H,5,11H2/b8-6+
InChIKeyHJOUSWJOPKLCGA-SOFGYWHQSA-N
MW159.19 g/mol
LogP1.27
Rot. Bonds

About (2E)-2-(aminomethylidene)-3H-inden-1-one

(2E)-2-(aminomethylidene)-3H-inden-1-one (PubChem CID 3037167) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is (2E)-2-(aminomethylidene)-3H-inden-1-one.

Molecular Properties

Compound Name(2E)-2-(aminomethylidene)-3H-inden-1-one
PubChem CID3037167
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name(2E)-2-(aminomethylidene)-3H-inden-1-one
SMILESN/C=C1\Cc2ccccc2C1=O
InChIInChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6H,5,11H2/b8-6+
InChIKeyHJOUSWJOPKLCGA-SOFGYWHQSA-N
XLogP1.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
2-ethylidene-3H-inden-1-one
CID 58198195
10H-anthracen-9-one;fluoren-9-one
CID 67642372
2-propylidene-3H-inden-1-one
CID 131043443
2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-3H-inden-1-one
CID 5001252
10H-anthracen-9-one;ethane;methanol
CID 90976205
(2E)-2-[(2-bromophenyl)methylidene]-3H-inden-1-one
CID 2623394
(2E)-2-[(4-phenylphenyl)methylidene]-3H-inden-1-one
CID 6251160
(2E)-2-[(4-bromophenyl)methylidene]-3H-inden-1-one
CID 5358072
(2E)-2-[(4-methylphenyl)methylidene]-3H-inden-1-one
CID 7064605
2-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]-3H-inden-1-olate
CID 18724770
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
CID 2305460

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(aminomethylidene)-3H-inden-1-one?
The IUPAC name of (2E)-2-(aminomethylidene)-3H-inden-1-one (CID 3037167) is (2E)-2-(aminomethylidene)-3H-inden-1-one.
What is the SMILES notation for (2E)-2-(aminomethylidene)-3H-inden-1-one?
The canonical SMILES for (2E)-2-(aminomethylidene)-3H-inden-1-one is N/C=C1\Cc2ccccc2C1=O.
What is the InChIKey of (2E)-2-(aminomethylidene)-3H-inden-1-one?
The InChIKey is HJOUSWJOPKLCGA-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H9NO/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6H,5,11H2/b8-6+.
What are the key properties of (2E)-2-(aminomethylidene)-3H-inden-1-one?
(2E)-2-(aminomethylidene)-3H-inden-1-one has a molecular weight of 159.19 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(aminomethylidene)-3H-inden-1-one is sourced from PubChem (CID 3037167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).