2-(1-methylazepan-1-ium-1-yl)acetohydrazide

C9H20N3O+ — CID 118946169

IUPAC2-(1-methylazepan-1-ium-1-yl)acetohydrazide
SMILESC[N+]1(CC(=O)NN)CCCCCC1
InChIInChI=1S/C9H19N3O/c1-12(8-9(13)11-10)6-4-2-3-5-7-12/h2-8,10H2,1H3/p+1
InChIKeyFCDFRTUCQJBPDR-UHFFFAOYSA-O
MW186.28 g/mol
LogP-0.00
Rot. Bonds2

About 2-(1-methylazepan-1-ium-1-yl)acetohydrazide

2-(1-methylazepan-1-ium-1-yl)acetohydrazide (PubChem CID 118946169) has the molecular formula C9H20N3O+ and a molecular weight of 186.28 g/mol. Its IUPAC name is 2-(1-methylazepan-1-ium-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-methylazepan-1-ium-1-yl)acetohydrazide
PubChem CID118946169
Molecular FormulaC9H20N3O+
Molecular Weight186.28 g/mol
Exact Mass186.16
IUPAC Name2-(1-methylazepan-1-ium-1-yl)acetohydrazide
SMILESC[N+]1(CC(=O)NN)CCCCCC1
InChIInChI=1S/C9H19N3O/c1-12(8-9(13)11-10)6-4-2-3-5-7-12/h2-8,10H2,1H3/p+1
InChIKeyFCDFRTUCQJBPDR-UHFFFAOYSA-O
XLogP-0.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazepan-1-ium-1-yl)acetohydrazide?
The IUPAC name of 2-(1-methylazepan-1-ium-1-yl)acetohydrazide (CID 118946169) is 2-(1-methylazepan-1-ium-1-yl)acetohydrazide.
What is the SMILES notation for 2-(1-methylazepan-1-ium-1-yl)acetohydrazide?
The canonical SMILES for 2-(1-methylazepan-1-ium-1-yl)acetohydrazide is C[N+]1(CC(=O)NN)CCCCCC1.
What is the InChIKey of 2-(1-methylazepan-1-ium-1-yl)acetohydrazide?
The InChIKey is FCDFRTUCQJBPDR-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H19N3O/c1-12(8-9(13)11-10)6-4-2-3-5-7-12/h2-8,10H2,1H3/p+1.
What are the key properties of 2-(1-methylazepan-1-ium-1-yl)acetohydrazide?
2-(1-methylazepan-1-ium-1-yl)acetohydrazide has a molecular weight of 186.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazepan-1-ium-1-yl)acetohydrazide is sourced from PubChem (CID 118946169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).