6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide

C20H23N3O2 — CID 145081343

IUPAC6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide
SMILESCn1ccc2cc[nH]c2c1=O.O=CNC1CCCCc2ccccc21
InChIInChI=1S/C12H15NO.C8H8N2O/c14-9-13-12-8-4-2-6-10-5-1-3-7-11(10)12;1-10-5-3-6-2-4-9-7(6)8(10)11/h1,3,5,7,9,12H,2,4,6,8H2,(H,13,14);2-5,9H,1H3
InChIKeyBDXXXRHHVJUNTK-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.07
Rot. Bonds2

About 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide

6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide (PubChem CID 145081343) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide.

Molecular Properties

Compound Name6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide
PubChem CID145081343
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide
SMILESCn1ccc2cc[nH]c2c1=O.O=CNC1CCCCc2ccccc21
InChIInChI=1S/C12H15NO.C8H8N2O/c14-9-13-12-8-4-2-6-10-5-1-3-7-11(10)12;1-10-5-3-6-2-4-9-7(6)8(10)11/h1,3,5,7,9,12H,2,4,6,8H2,(H,13,14);2-5,9H,1H3
InChIKeyBDXXXRHHVJUNTK-UHFFFAOYSA-N
XLogP3.07
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide?
The IUPAC name of 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide (CID 145081343) is 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide.
What is the SMILES notation for 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide?
The canonical SMILES for 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide is Cn1ccc2cc[nH]c2c1=O.O=CNC1CCCCc2ccccc21.
What is the InChIKey of 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide?
The InChIKey is BDXXXRHHVJUNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C8H8N2O/c14-9-13-12-8-4-2-6-10-5-1-3-7-11(10)12;1-10-5-3-6-2-4-9-7(6)8(10)11/h1,3,5,7,9,12H,2,4,6,8H2,(H,13,14);2-5,9H,1H3.
What are the key properties of 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide?
6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide has a molecular weight of 337.42 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one;N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)formamide is sourced from PubChem (CID 145081343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).