(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone

C16H16N2O2 — CID 43550159

IUPAC(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)c1cccc(O)c1
InChIInChI=1S/C16H16N2O2/c1-10-7-12-8-13(17)5-6-15(12)18(10)16(20)11-3-2-4-14(19)9-11/h2-6,8-10,19H,7,17H2,1H3
InChIKeyRKCURXDNJAAKIO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.57
Rot. Bonds1

About (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone (PubChem CID 43550159) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
PubChem CID43550159
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
SMILESCC1Cc2cc(N)ccc2N1C(=O)c1cccc(O)c1
InChIInChI=1S/C16H16N2O2/c1-10-7-12-8-13(17)5-6-15(12)18(10)16(20)11-3-2-4-14(19)9-11/h2-6,8-10,19H,7,17H2,1H3
InChIKeyRKCURXDNJAAKIO-UHFFFAOYSA-N
XLogP2.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,6-dimethylphenyl)methanone
CID 107999893
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2-fluoro-4-hydroxyphenyl)methanone
CID 107674510
5-amino-2-methyl-2,3-dihydroindole-1-carboxamide
CID 43551503
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115298349
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 62278189
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79985768
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(2,5-dibromophenyl)methanone
CID 114367699
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152708
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 43550098

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone (CID 43550159) is (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone is CC1Cc2cc(N)ccc2N1C(=O)c1cccc(O)c1.
What is the InChIKey of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is RKCURXDNJAAKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-7-12-8-13(17)5-6-15(12)18(10)16(20)11-3-2-4-14(19)9-11/h2-6,8-10,19H,7,17H2,1H3.
What are the key properties of (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone?
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 43550159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).