1-benzazocine-5-carboxamide

C12H10N2O — CID 70007219

IUPAC1-benzazocine-5-carboxamide
SMILESNC(=O)C1=CC=C/N=c2/ccccc2=C1
InChIInChI=1S/C12H10N2O/c13-12(15)10-5-3-7-14-11-6-2-1-4-9(11)8-10/h1-8H,(H2,13,15)/b5-3?,7-3?,9-8?,10-5?,10-8?,14-7?,14-11-
InChIKeyAOORBCICRXEGEE-DANHZZKESA-N
MW198.22 g/mol
LogP0.03
Rot. Bonds1

About 1-benzazocine-5-carboxamide

1-benzazocine-5-carboxamide (PubChem CID 70007219) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-benzazocine-5-carboxamide.

Molecular Properties

Compound Name1-benzazocine-5-carboxamide
PubChem CID70007219
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name1-benzazocine-5-carboxamide
SMILESNC(=O)C1=CC=C/N=c2/ccccc2=C1
InChIInChI=1S/C12H10N2O/c13-12(15)10-5-3-7-14-11-6-2-1-4-9(11)8-10/h1-8H,(H2,13,15)/b5-3?,7-3?,9-8?,10-5?,10-8?,14-7?,14-11-
InChIKeyAOORBCICRXEGEE-DANHZZKESA-N
XLogP0.03
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzazocine-5-carboxamide?
The IUPAC name of 1-benzazocine-5-carboxamide (CID 70007219) is 1-benzazocine-5-carboxamide.
What is the SMILES notation for 1-benzazocine-5-carboxamide?
The canonical SMILES for 1-benzazocine-5-carboxamide is NC(=O)C1=CC=C/N=c2/ccccc2=C1.
What is the InChIKey of 1-benzazocine-5-carboxamide?
The InChIKey is AOORBCICRXEGEE-DANHZZKESA-N. The full InChI is InChI=1S/C12H10N2O/c13-12(15)10-5-3-7-14-11-6-2-1-4-9(11)8-10/h1-8H,(H2,13,15)/b5-3?,7-3?,9-8?,10-5?,10-8?,14-7?,14-11-.
What are the key properties of 1-benzazocine-5-carboxamide?
1-benzazocine-5-carboxamide has a molecular weight of 198.22 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzazocine-5-carboxamide is sourced from PubChem (CID 70007219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).