1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide

C8H13N3O2 — CID 149262876

IUPAC1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide
SMILESCN1CC=C(C(N)=O)N(C)C(=O)C1
InChIInChI=1S/C8H13N3O2/c1-10-4-3-6(8(9)13)11(2)7(12)5-10/h3H,4-5H2,1-2H3,(H2,9,13)
InChIKeyXPOSMRFZDCJJIY-UHFFFAOYSA-N
MW183.21 g/mol
LogP-1.24
Rot. Bonds1

About 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide

1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide (PubChem CID 149262876) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide
PubChem CID149262876
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide
SMILESCN1CC=C(C(N)=O)N(C)C(=O)C1
InChIInChI=1S/C8H13N3O2/c1-10-4-3-6(8(9)13)11(2)7(12)5-10/h3H,4-5H2,1-2H3,(H2,9,13)
InChIKeyXPOSMRFZDCJJIY-UHFFFAOYSA-N
XLogP-1.24
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide?
The IUPAC name of 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide (CID 149262876) is 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide.
What is the SMILES notation for 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide?
The canonical SMILES for 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide is CN1CC=C(C(N)=O)N(C)C(=O)C1.
What is the InChIKey of 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide?
The InChIKey is XPOSMRFZDCJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-10-4-3-6(8(9)13)11(2)7(12)5-10/h3H,4-5H2,1-2H3,(H2,9,13).
What are the key properties of 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide?
1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxamide is sourced from PubChem (CID 149262876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).