N-methyl-2H-azepine-5-carboxamide

C8H10N2O — CID 142206390

IUPACN-methyl-2H-azepine-5-carboxamide
SMILESCNC(=O)C1=CC=NCC=C1
InChIInChI=1S/C8H10N2O/c1-9-8(11)7-3-2-5-10-6-4-7/h2-4,6H,5H2,1H3,(H,9,11)
InChIKeyDILVFBREBUAYBX-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.30
Rot. Bonds1

About N-methyl-2H-azepine-5-carboxamide

N-methyl-2H-azepine-5-carboxamide (PubChem CID 142206390) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is N-methyl-2H-azepine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2H-azepine-5-carboxamide
PubChem CID142206390
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC NameN-methyl-2H-azepine-5-carboxamide
SMILESCNC(=O)C1=CC=NCC=C1
InChIInChI=1S/C8H10N2O/c1-9-8(11)7-3-2-5-10-6-4-7/h2-4,6H,5H2,1H3,(H,9,11)
InChIKeyDILVFBREBUAYBX-UHFFFAOYSA-N
XLogP0.30
TPSA41.46 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 ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2H-azepine-5-carboxamide?
The IUPAC name of N-methyl-2H-azepine-5-carboxamide (CID 142206390) is N-methyl-2H-azepine-5-carboxamide.
What is the SMILES notation for N-methyl-2H-azepine-5-carboxamide?
The canonical SMILES for N-methyl-2H-azepine-5-carboxamide is CNC(=O)C1=CC=NCC=C1.
What is the InChIKey of N-methyl-2H-azepine-5-carboxamide?
The InChIKey is DILVFBREBUAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-9-8(11)7-3-2-5-10-6-4-7/h2-4,6H,5H2,1H3,(H,9,11).
What are the key properties of N-methyl-2H-azepine-5-carboxamide?
N-methyl-2H-azepine-5-carboxamide has a molecular weight of 150.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2H-azepine-5-carboxamide is sourced from PubChem (CID 142206390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).