(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one

C17H14N2O — CID 10199133

IUPAC(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one
SMILESNc1ccc2c(c1)CC/C2=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O/c18-11-6-8-12-10(9-11)5-7-13(12)16-14-3-1-2-4-15(14)19-17(16)20/h1-4,6,8-9H,5,7,18H2,(H,19,20)/b16-13-
InChIKeyRPHHWCDNPQGDJA-SSZFMOIBSA-N
MW262.31 g/mol
LogP3.08
Rot. Bonds

About (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one

(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one (PubChem CID 10199133) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one
PubChem CID10199133
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one
SMILESNc1ccc2c(c1)CC/C2=C1/C(=O)Nc2ccccc21
InChIInChI=1S/C17H14N2O/c18-11-6-8-12-10(9-11)5-7-13(12)16-14-3-1-2-4-15(14)19-17(16)20/h1-4,6,8-9H,5,7,18H2,(H,19,20)/b16-13-
InChIKeyRPHHWCDNPQGDJA-SSZFMOIBSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3-(2-oxopyrrolidin-3-ylidene)-1H-indol-2-one
CID 10353181
(3Z)-3-(3-oxo-1H-inden-2-ylidene)-1H-indol-2-one
CID 148819024
N-methyl-1-[2-[1-(2-oxo-1H-indol-3-ylidene)-2,3-dihydroinden-5-yl]ethyl]piperidine-4-carboxamide
CID 76675652
6,11-dihydro-5H-benzo[b][1]benzazepin-3-amine
CID 23876509
(3E)-3-(5-tert-butyl-2-oxocyclohexylidene)-1H-indol-2-one
CID 6166068
5-aminotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 22337735
1H-quinoline-2,3,4-trione;hydrate
CID 91665944
5-amino-1H-indole-2,3-dione;hydrochloride
CID 133055116
(3E)-3-(5-oxo-3-phenylcyclopent-2-en-1-ylidene)-1H-indol-2-one
CID 58657963
copper;1H-indole-2,3-dione
CID 70626411
9H-fluoren-2-amine;hydrobromide
CID 141482724
11H-benzo[c][1,5]benzothiazocine-6,12-dione
CID 134879076

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one (CID 10199133) is (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one is Nc1ccc2c(c1)CC/C2=C1/C(=O)Nc2ccccc21.
What is the InChIKey of (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one?
The InChIKey is RPHHWCDNPQGDJA-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H14N2O/c18-11-6-8-12-10(9-11)5-7-13(12)16-14-3-1-2-4-15(14)19-17(16)20/h1-4,6,8-9H,5,7,18H2,(H,19,20)/b16-13-.
What are the key properties of (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one?
(3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one has a molecular weight of 262.31 g/mol, XLogP of 3.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(5-amino-2,3-dihydroinden-1-ylidene)-1H-indol-2-one is sourced from PubChem (CID 10199133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).