1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide

C12H14N2O — CID 71144345

IUPAC1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide
SMILESNC(=O)C1CCC=Cc2ccccc2N1
InChIInChI=1S/C12H14N2O/c13-12(15)11-8-4-2-6-9-5-1-3-7-10(9)14-11/h1-3,5-7,11,14H,4,8H2,(H2,13,15)
InChIKeyDKOKDWGHRXTXQX-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.76
Rot. Bonds1

About 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide

1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide (PubChem CID 71144345) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide
PubChem CID71144345
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide
SMILESNC(=O)C1CCC=Cc2ccccc2N1
InChIInChI=1S/C12H14N2O/c13-12(15)11-8-4-2-6-9-5-1-3-7-10(9)14-11/h1-3,5-7,11,14H,4,8H2,(H2,13,15)
InChIKeyDKOKDWGHRXTXQX-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide?
The IUPAC name of 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide (CID 71144345) is 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide.
What is the SMILES notation for 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide?
The canonical SMILES for 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide is NC(=O)C1CCC=Cc2ccccc2N1.
What is the InChIKey of 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide?
The InChIKey is DKOKDWGHRXTXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c13-12(15)11-8-4-2-6-9-5-1-3-7-10(9)14-11/h1-3,5-7,11,14H,4,8H2,(H2,13,15).
What are the key properties of 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide?
1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide has a molecular weight of 202.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydro-1-benzazocine-2-carboxamide is sourced from PubChem (CID 71144345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).