4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide

C10H20N4O2 — CID 65366409

IUPAC4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCCNC(=O)C1
InChIInChI=1S/C10H20N4O2/c1-8(3-4-9(15)13-11)14-6-2-5-12-10(16)7-14/h8H,2-7,11H2,1H3,(H,12,16)(H,13,15)
InChIKeyVTMWXOIRIVLERN-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.03
Rot. Bonds4

About 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide

4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide (PubChem CID 65366409) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
PubChem CID65366409
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCCNC(=O)C1
InChIInChI=1S/C10H20N4O2/c1-8(3-4-9(15)13-11)14-6-2-5-12-10(16)7-14/h8H,2-7,11H2,1H3,(H,12,16)(H,13,15)
InChIKeyVTMWXOIRIVLERN-UHFFFAOYSA-N
XLogP-1.03
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.03
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

4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 63584443
4-(4-methyl-3-oxo-1,4-diazepan-1-yl)pentanehydrazide
CID 102892939
4-(1,4-thiazepan-4-yl)pentanehydrazide
CID 63578775
3-(3-oxopiperazin-1-yl)propanehydrazide
CID 63570078
3-methyl-2-(3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 65366616
2-(3-oxo-1,4-diazepan-1-yl)pentanoic acid
CID 83040888
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
4-(1,1-dioxo-1,4-thiazinan-4-yl)pentanehydrazide
CID 63571628
4-(4-oxopentan-2-yl)piperazin-2-one
CID 64698316
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460
4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 82688047
4-(3,4,5-trimethylpiperazin-1-yl)pentanehydrazide
CID 114540686

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The IUPAC name of 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide (CID 65366409) is 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The canonical SMILES for 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCCNC(=O)C1.
What is the InChIKey of 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The InChIKey is VTMWXOIRIVLERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(3-4-9(15)13-11)14-6-2-5-12-10(16)7-14/h8H,2-7,11H2,1H3,(H,12,16)(H,13,15).
What are the key properties of 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide?
4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide has a molecular weight of 228.30 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,4-diazepan-1-yl)pentanehydrazide is sourced from PubChem (CID 65366409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).