N,N-dimethyloxepine-2-carboxamide

C9H11NO2 — CID 13438607

IUPACN,N-dimethyloxepine-2-carboxamide
SMILESCN(C)C(=O)C1=CC=CC=CO1
InChIInChI=1S/C9H11NO2/c1-10(2)9(11)8-6-4-3-5-7-12-8/h3-7H,1-2H3
InChIKeyCLYGGGHZOWPOOV-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.06
Rot. Bonds1

About N,N-dimethyloxepine-2-carboxamide

N,N-dimethyloxepine-2-carboxamide (PubChem CID 13438607) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N,N-dimethyloxepine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyloxepine-2-carboxamide
PubChem CID13438607
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN,N-dimethyloxepine-2-carboxamide
SMILESCN(C)C(=O)C1=CC=CC=CO1
InChIInChI=1S/C9H11NO2/c1-10(2)9(11)8-6-4-3-5-7-12-8/h3-7H,1-2H3
InChIKeyCLYGGGHZOWPOOV-UHFFFAOYSA-N
XLogP1.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyloxepine-2-carboxamide?
The IUPAC name of N,N-dimethyloxepine-2-carboxamide (CID 13438607) is N,N-dimethyloxepine-2-carboxamide.
What is the SMILES notation for N,N-dimethyloxepine-2-carboxamide?
The canonical SMILES for N,N-dimethyloxepine-2-carboxamide is CN(C)C(=O)C1=CC=CC=CO1.
What is the InChIKey of N,N-dimethyloxepine-2-carboxamide?
The InChIKey is CLYGGGHZOWPOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10(2)9(11)8-6-4-3-5-7-12-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethyloxepine-2-carboxamide?
N,N-dimethyloxepine-2-carboxamide has a molecular weight of 165.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyloxepine-2-carboxamide is sourced from PubChem (CID 13438607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).