4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one

C14H20N4O2 — CID 102892693

IUPAC4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc(NN)ccc1C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H20N4O2/c1-10-8-11(16-15)4-5-12(10)14(20)18-7-3-6-17(2)13(19)9-18/h4-5,8,16H,3,6-7,9,15H2,1-2H3
InChIKeySGHVMDYCENNROS-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.58
Rot. Bonds2

About 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one

4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102892693) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102892693
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
SMILESCc1cc(NN)ccc1C(=O)N1CCCN(C)C(=O)C1
InChIInChI=1S/C14H20N4O2/c1-10-8-11(16-15)4-5-12(10)14(20)18-7-3-6-17(2)13(19)9-18/h4-5,8,16H,3,6-7,9,15H2,1-2H3
InChIKeySGHVMDYCENNROS-UHFFFAOYSA-N
XLogP0.58
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[2-methyl-4-(methylamino)benzoyl]-1,4-diazepan-2-one
CID 102892314
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
4-[4-(ethylamino)benzoyl]-1-methyl-1,4-diazepan-2-one
CID 102892418
4-(2-hydrazinylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892680
1-methyl-4-[4-(propylamino)benzoyl]-1,4-diazepan-2-one
CID 102892326
1-methyl-4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-2-one
CID 102847836
4-(5-fluoro-2-hydroxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102889204
4-(2-amino-5-methoxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888081
4-(3-amino-4-fluorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888114
4-(2-amino-3-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888142
4-(2-amino-6-methylpyridine-4-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102892502
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one (CID 102892693) is 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one is Cc1cc(NN)ccc1C(=O)N1CCCN(C)C(=O)C1.
What is the InChIKey of 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is SGHVMDYCENNROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-8-11(16-15)4-5-12(10)14(20)18-7-3-6-17(2)13(19)9-18/h4-5,8,16H,3,6-7,9,15H2,1-2H3.
What are the key properties of 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one?
4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydrazinyl-2-methylbenzoyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102892693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).