N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide

C13H18N4O — CID 11841599

IUPACN'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccccc2N(C)C(C)C1
InChIInChI=1S/C13H18N4O/c1-9-8-13(16-15-10(2)18)14-11-6-4-5-7-12(11)17(9)3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyIUJMXPCIMICTJN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.59
Rot. Bonds

About N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide

N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide (PubChem CID 11841599) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide
PubChem CID11841599
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide
SMILESCC(=O)NNC1=Nc2ccccc2N(C)C(C)C1
InChIInChI=1S/C13H18N4O/c1-9-8-13(16-15-10(2)18)14-11-6-4-5-7-12(11)17(9)3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,18)
InChIKeyIUJMXPCIMICTJN-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide?
The IUPAC name of N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide (CID 11841599) is N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide.
What is the SMILES notation for N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide?
The canonical SMILES for N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide is CC(=O)NNC1=Nc2ccccc2N(C)C(C)C1.
What is the InChIKey of N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide?
The InChIKey is IUJMXPCIMICTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-8-13(16-15-10(2)18)14-11-6-4-5-7-12(11)17(9)3/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,18).
What are the key properties of N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide?
N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide has a molecular weight of 246.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)acetohydrazide is sourced from PubChem (CID 11841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).