(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid

C19H18N2O3 — CID 59376056

IUPAC(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid
SMILESCc1ccc2c(c1)/C(=C1\CCCc3c1[nH]c(C)c3C(=O)O)C(=O)N2
InChIInChI=1S/C19H18N2O3/c1-9-6-7-14-13(8-9)16(18(22)21-14)12-5-3-4-11-15(19(23)24)10(2)20-17(11)12/h6-8,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)/b16-12-
InChIKeyRWDKHGGETZVEDX-VBKFSLOCSA-N
MW322.36 g/mol
LogP3.53
Rot. Bonds1

About (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid

(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid (PubChem CID 59376056) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid
PubChem CID59376056
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid
SMILESCc1ccc2c(c1)/C(=C1\CCCc3c1[nH]c(C)c3C(=O)O)C(=O)N2
InChIInChI=1S/C19H18N2O3/c1-9-6-7-14-13(8-9)16(18(22)21-14)12-5-3-4-11-15(19(23)24)10(2)20-17(11)12/h6-8,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)/b16-12-
InChIKeyRWDKHGGETZVEDX-VBKFSLOCSA-N
XLogP3.53
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid?
The IUPAC name of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid (CID 59376056) is (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid.
What is the SMILES notation for (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid?
The canonical SMILES for (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid is Cc1ccc2c(c1)/C(=C1\CCCc3c1[nH]c(C)c3C(=O)O)C(=O)N2.
What is the InChIKey of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid?
The InChIKey is RWDKHGGETZVEDX-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-9-6-7-14-13(8-9)16(18(22)21-14)12-5-3-4-11-15(19(23)24)10(2)20-17(11)12/h6-8,20H,3-5H2,1-2H3,(H,21,22)(H,23,24)/b16-12-.
What are the key properties of (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid?
(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 3.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,4,5,6-tetrahydroindole-3-carboxylic acid is sourced from PubChem (CID 59376056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).