2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide

C7H14N4O2 — CID 63582967

IUPAC2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCNC(=O)CC1
InChIInChI=1S/C7H14N4O2/c8-10-7(13)5-11-3-1-6(12)9-2-4-11/h1-5,8H2,(H,9,12)(H,10,13)
InChIKeyYINPSIBRMCZGEP-UHFFFAOYSA-N
MW186.21 g/mol
LogP-2.20
Rot. Bonds2

About 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide

2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide (PubChem CID 63582967) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide
PubChem CID63582967
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCNC(=O)CC1
InChIInChI=1S/C7H14N4O2/c8-10-7(13)5-11-3-1-6(12)9-2-4-11/h1-5,8H2,(H,9,12)(H,10,13)
InChIKeyYINPSIBRMCZGEP-UHFFFAOYSA-N
XLogP-2.20
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-2.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63004252
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
2-(1,4-diazepan-1-yl)acetohydrazide
CID 63577135
4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 63584443
1-phenacyl-1,4-diazepan-5-one
CID 63004139
3-methyl-4-(5-oxo-1,4-diazepan-1-yl)but-2-enoic acid
CID 77006071
N-(3-carbamothioylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63002679
2-[(5-oxo-1,4-diazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63583335
2-(azonan-1-yl)acetohydrazide
CID 130750156
2-(5-oxo-1,4-diazepan-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 164634917
methyl 2-bromo-3-(5-oxo-1,4-diazepan-1-yl)propanoate
CID 81099789
4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 63004132

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide?
The IUPAC name of 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide (CID 63582967) is 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide.
What is the SMILES notation for 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide?
The canonical SMILES for 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide is NNC(=O)CN1CCNC(=O)CC1.
What is the InChIKey of 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide?
The InChIKey is YINPSIBRMCZGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c8-10-7(13)5-11-3-1-6(12)9-2-4-11/h1-5,8H2,(H,9,12)(H,10,13).
What are the key properties of 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide?
2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide has a molecular weight of 186.21 g/mol, XLogP of -2.20, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-1,4-diazepan-1-yl)acetohydrazide is sourced from PubChem (CID 63582967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).