N-methyl-6H-1-benzazepine-7-carboxamide

C12H12N2O — CID 143449651

IUPACN-methyl-6H-1-benzazepine-7-carboxamide
SMILESCNC(=O)C1=CC=C2N=CC=CC=C2C1
InChIInChI=1S/C12H12N2O/c1-13-12(15)10-5-6-11-9(8-10)4-2-3-7-14-11/h2-7H,8H2,1H3,(H,13,15)
InChIKeySCEDXZFQRYIZAP-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.51
Rot. Bonds1

About N-methyl-6H-1-benzazepine-7-carboxamide

N-methyl-6H-1-benzazepine-7-carboxamide (PubChem CID 143449651) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is N-methyl-6H-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-6H-1-benzazepine-7-carboxamide
PubChem CID143449651
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC NameN-methyl-6H-1-benzazepine-7-carboxamide
SMILESCNC(=O)C1=CC=C2N=CC=CC=C2C1
InChIInChI=1S/C12H12N2O/c1-13-12(15)10-5-6-11-9(8-10)4-2-3-7-14-11/h2-7H,8H2,1H3,(H,13,15)
InChIKeySCEDXZFQRYIZAP-UHFFFAOYSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6H-1-benzazepine-7-carboxamide?
The IUPAC name of N-methyl-6H-1-benzazepine-7-carboxamide (CID 143449651) is N-methyl-6H-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-methyl-6H-1-benzazepine-7-carboxamide?
The canonical SMILES for N-methyl-6H-1-benzazepine-7-carboxamide is CNC(=O)C1=CC=C2N=CC=CC=C2C1.
What is the InChIKey of N-methyl-6H-1-benzazepine-7-carboxamide?
The InChIKey is SCEDXZFQRYIZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-13-12(15)10-5-6-11-9(8-10)4-2-3-7-14-11/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of N-methyl-6H-1-benzazepine-7-carboxamide?
N-methyl-6H-1-benzazepine-7-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6H-1-benzazepine-7-carboxamide is sourced from PubChem (CID 143449651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).