2,7-dihydroazocine-8-carboxamide

C8H10N2O — CID 166785700

IUPAC2,7-dihydroazocine-8-carboxamide
SMILESNC(=O)/C1=N/CC=CC=CC1
InChIInChI=1S/C8H10N2O/c9-8(11)7-5-3-1-2-4-6-10-7/h1-4H,5-6H2,(H2,9,11)/b3-1?,4-2?,10-7+
InChIKeyOFFHVVIUVOESOH-GPNCFIQASA-N
MW150.18 g/mol
LogP0.43
Rot. Bonds1

About 2,7-dihydroazocine-8-carboxamide

2,7-dihydroazocine-8-carboxamide (PubChem CID 166785700) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2,7-dihydroazocine-8-carboxamide.

Molecular Properties

Compound Name2,7-dihydroazocine-8-carboxamide
PubChem CID166785700
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2,7-dihydroazocine-8-carboxamide
SMILESNC(=O)/C1=N/CC=CC=CC1
InChIInChI=1S/C8H10N2O/c9-8(11)7-5-3-1-2-4-6-10-7/h1-4H,5-6H2,(H2,9,11)/b3-1?,4-2?,10-7+
InChIKeyOFFHVVIUVOESOH-GPNCFIQASA-N
XLogP0.43
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydroazocine-8-carboxamide?
The IUPAC name of 2,7-dihydroazocine-8-carboxamide (CID 166785700) is 2,7-dihydroazocine-8-carboxamide.
What is the SMILES notation for 2,7-dihydroazocine-8-carboxamide?
The canonical SMILES for 2,7-dihydroazocine-8-carboxamide is NC(=O)/C1=N/CC=CC=CC1.
What is the InChIKey of 2,7-dihydroazocine-8-carboxamide?
The InChIKey is OFFHVVIUVOESOH-GPNCFIQASA-N. The full InChI is InChI=1S/C8H10N2O/c9-8(11)7-5-3-1-2-4-6-10-7/h1-4H,5-6H2,(H2,9,11)/b3-1?,4-2?,10-7+.
What are the key properties of 2,7-dihydroazocine-8-carboxamide?
2,7-dihydroazocine-8-carboxamide has a molecular weight of 150.18 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydroazocine-8-carboxamide is sourced from PubChem (CID 166785700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).