4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide

C10H20N4O2 — CID 63584443

IUPAC4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCNC(=O)CC1
InChIInChI=1S/C10H20N4O2/c1-8(2-3-10(16)13-11)14-6-4-9(15)12-5-7-14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyVADCJGHQEOGQLX-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.03
Rot. Bonds4

About 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide

4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide (PubChem CID 63584443) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide.

Molecular Properties

Compound Name4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
PubChem CID63584443
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide
SMILESCC(CCC(=O)NN)N1CCNC(=O)CC1
InChIInChI=1S/C10H20N4O2/c1-8(2-3-10(16)13-11)14-6-4-9(15)12-5-7-14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyVADCJGHQEOGQLX-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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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The IUPAC name of 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide (CID 63584443) is 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide.
What is the SMILES notation for 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The canonical SMILES for 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide is CC(CCC(=O)NN)N1CCNC(=O)CC1.
What is the InChIKey of 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide?
The InChIKey is VADCJGHQEOGQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-8(2-3-10(16)13-11)14-6-4-9(15)12-5-7-14/h8H,2-7,11H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide?
4-(5-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-(5-oxo-1,4-diazepan-1-yl)pentanehydrazide is sourced from PubChem (CID 63584443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).