(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone

C16H16N2O2 — CID 154819404

IUPAC(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
SMILESCc1cc2c(cn1)CN(C(=O)c1ccc(O)c(C)c1)C2
InChIInChI=1S/C16H16N2O2/c1-10-5-12(3-4-15(10)19)16(20)18-8-13-6-11(2)17-7-14(13)9-18/h3-7,19H,8-9H2,1-2H3
InChIKeyABDDHTJBVWCMHY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.56
Rot. Bonds1

About (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone

(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone (PubChem CID 154819404) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
PubChem CID154819404
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
SMILESCc1cc2c(cn1)CN(C(=O)c1ccc(O)c(C)c1)C2
InChIInChI=1S/C16H16N2O2/c1-10-5-12(3-4-15(10)19)16(20)18-8-13-6-11(2)17-7-14(13)9-18/h3-7,19H,8-9H2,1-2H3
InChIKeyABDDHTJBVWCMHY-UHFFFAOYSA-N
XLogP2.56
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
The IUPAC name of (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone (CID 154819404) is (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone.
What is the SMILES notation for (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
The canonical SMILES for (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone is Cc1cc2c(cn1)CN(C(=O)c1ccc(O)c(C)c1)C2.
What is the InChIKey of (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
The InChIKey is ABDDHTJBVWCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-5-12(3-4-15(10)19)16(20)18-8-13-6-11(2)17-7-14(13)9-18/h3-7,19H,8-9H2,1-2H3.
What are the key properties of (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone?
(4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone has a molecular weight of 268.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylphenyl)-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone is sourced from PubChem (CID 154819404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).