5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid

C22H22N2O3 — CID 175141162

IUPAC5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(C)c(C(=O)O)c1C.O=C1Cc2cc(-c3ccccc3)ccc2N1
InChIInChI=1S/C14H11NO.C8H11NO2/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10;1-4-5(2)9-6(3)7(4)8(10)11/h1-8H,9H2,(H,15,16);9H,1-3H3,(H,10,11)
InChIKeyZDFINSSMELDGQN-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.49
Rot. Bonds2

About 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid

5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid (PubChem CID 175141162) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
PubChem CID175141162
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c(C)c(C(=O)O)c1C.O=C1Cc2cc(-c3ccccc3)ccc2N1
InChIInChI=1S/C14H11NO.C8H11NO2/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10;1-4-5(2)9-6(3)7(4)8(10)11/h1-8H,9H2,(H,15,16);9H,1-3H3,(H,10,11)
InChIKeyZDFINSSMELDGQN-UHFFFAOYSA-N
XLogP4.49
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methoxyphenyl)-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid
CID 175358460
2,4-dimethyl-5-[(2-oxo-5-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
CID 68789954
6-phenyl-1,3-dihydroindol-2-one
CID 10536384
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
CID 116828739
acetic acid;1,3-dihydroindol-2-one
CID 158067424
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
acetic acid;5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydroindol-2-one
CID 162316573
2,4-dimethyl-6-(2-oxo-1,3-dihydroindol-6-yl)pyridine-3-carboxylic acid
CID 162638361
4-chloro-3-(2-oxo-1,3-dihydroindol-5-yl)benzoic acid
CID 146216092
5-(2-chloro-6-phenylphenyl)-1,3-dihydroindol-2-one
CID 122655598
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid (CID 175141162) is 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]c(C)c(C(=O)O)c1C.O=C1Cc2cc(-c3ccccc3)ccc2N1.
What is the InChIKey of 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is ZDFINSSMELDGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO.C8H11NO2/c16-14-9-12-8-11(6-7-13(12)15-14)10-4-2-1-3-5-10;1-4-5(2)9-6(3)7(4)8(10)11/h1-8H,9H2,(H,15,16);9H,1-3H3,(H,10,11).
What are the key properties of 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid?
5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 4.49, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-dihydroindol-2-one;2,4,5-trimethyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 175141162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).