3-(1H-indol-2-ylmethylidene)indene-1,2-dione

C18H11NO2 — CID 175834648

IUPAC3-(1H-indol-2-ylmethylidene)indene-1,2-dione
SMILESO=C1C(=O)c2ccccc2C1=Cc1cc2ccccc2[nH]1
InChIInChI=1S/C18H11NO2/c20-17-14-7-3-2-6-13(14)15(18(17)21)10-12-9-11-5-1-4-8-16(11)19-12/h1-10,19H
InChIKeyQKPOQTSCPFNOKA-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.47
Rot. Bonds1

About 3-(1H-indol-2-ylmethylidene)indene-1,2-dione

3-(1H-indol-2-ylmethylidene)indene-1,2-dione (PubChem CID 175834648) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(1H-indol-2-ylmethylidene)indene-1,2-dione.

Molecular Properties

Compound Name3-(1H-indol-2-ylmethylidene)indene-1,2-dione
PubChem CID175834648
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name3-(1H-indol-2-ylmethylidene)indene-1,2-dione
SMILESO=C1C(=O)c2ccccc2C1=Cc1cc2ccccc2[nH]1
InChIInChI=1S/C18H11NO2/c20-17-14-7-3-2-6-13(14)15(18(17)21)10-12-9-11-5-1-4-8-16(11)19-12/h1-10,19H
InChIKeyQKPOQTSCPFNOKA-UHFFFAOYSA-N
XLogP3.47
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2,2-bis(trifluoromethylsulfonyl)ethenyl]-1H-indole
CID 87352678
1-(1H-indol-2-yl)-N-propan-2-ylmethanimine;methane
CID 161223571
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
(3Z,6Z)-3-(1H-indol-2-ylmethylidene)-6-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione
CID 67581529
3-(1H-indol-2-yl)-2-sulfanylprop-2-enoic acid
CID 73474273
N-(3-chlorophenyl)-3-(1H-indol-2-ylmethylidene)-2-oxo-1H-indole-5-sulfonamide
CID 91285817
N,N-dimethyl-N'-[2-[(2-oxo-1H-indol-3-ylidene)methyl]-1H-indol-5-yl]methanimidamide
CID 54025682
N-(1H-indol-2-ylmethylideneamino)-N-methylmethanamine
CID 137238408
N-[(E)-1H-indol-2-ylmethylideneamino]-N-methylmethanamine
CID 136951952
2-(2-iodophenyl)-1H-indole
CID 12996175
phenanthrene-9,10-dione
CID 6763
dihydroxy(oxo)phosphanium;bis(1H-indole-2-carbaldehyde);1H-pyrrole
CID 174598313

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-ylmethylidene)indene-1,2-dione?
The IUPAC name of 3-(1H-indol-2-ylmethylidene)indene-1,2-dione (CID 175834648) is 3-(1H-indol-2-ylmethylidene)indene-1,2-dione.
What is the SMILES notation for 3-(1H-indol-2-ylmethylidene)indene-1,2-dione?
The canonical SMILES for 3-(1H-indol-2-ylmethylidene)indene-1,2-dione is O=C1C(=O)c2ccccc2C1=Cc1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-ylmethylidene)indene-1,2-dione?
The InChIKey is QKPOQTSCPFNOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-17-14-7-3-2-6-13(14)15(18(17)21)10-12-9-11-5-1-4-8-16(11)19-12/h1-10,19H.
What are the key properties of 3-(1H-indol-2-ylmethylidene)indene-1,2-dione?
3-(1H-indol-2-ylmethylidene)indene-1,2-dione has a molecular weight of 273.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-ylmethylidene)indene-1,2-dione is sourced from PubChem (CID 175834648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).