6-but-2-enoxyhexanehydrazide

C10H20N2O2 — CID 77024435

IUPAC6-but-2-enoxyhexanehydrazide
SMILESCC=CCOCCCCCC(=O)NN
InChIInChI=1S/C10H20N2O2/c1-2-3-8-14-9-6-4-5-7-10(13)12-11/h2-3H,4-9,11H2,1H3,(H,12,13)
InChIKeyKPRKGOCUESZXCX-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.13
Rot. Bonds8

About 6-but-2-enoxyhexanehydrazide

6-but-2-enoxyhexanehydrazide (PubChem CID 77024435) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-but-2-enoxyhexanehydrazide.

Molecular Properties

Compound Name6-but-2-enoxyhexanehydrazide
PubChem CID77024435
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name6-but-2-enoxyhexanehydrazide
SMILESCC=CCOCCCCCC(=O)NN
InChIInChI=1S/C10H20N2O2/c1-2-3-8-14-9-6-4-5-7-10(13)12-11/h2-3H,4-9,11H2,1H3,(H,12,13)
InChIKeyKPRKGOCUESZXCX-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(3-methoxypropoxy)ethoxy]hexanehydrazide
CID 103175984
6-pent-4-enoxyhexanehydrazide
CID 79114952
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
5-(2,2-difluoroethoxy)pentanehydrazide
CID 82009779
3-[(E)-but-2-enoxy]propanamide
CID 62276924
hexanedihydrazide;pentanedihydrazide
CID 157195533
(13-hydrazinyl-13-oxotridecyl) 2-methylprop-2-enoate
CID 87973462
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325
3-[(Z)-but-2-enoxy]propanoic acid
CID 10351812
2-[(E)-but-2-enoxy]ethyl 3-(butylamino)propanoate
CID 54030765

Frequently Asked Questions

What is the IUPAC name of 6-but-2-enoxyhexanehydrazide?
The IUPAC name of 6-but-2-enoxyhexanehydrazide (CID 77024435) is 6-but-2-enoxyhexanehydrazide.
What is the SMILES notation for 6-but-2-enoxyhexanehydrazide?
The canonical SMILES for 6-but-2-enoxyhexanehydrazide is CC=CCOCCCCCC(=O)NN.
What is the InChIKey of 6-but-2-enoxyhexanehydrazide?
The InChIKey is KPRKGOCUESZXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-8-14-9-6-4-5-7-10(13)12-11/h2-3H,4-9,11H2,1H3,(H,12,13).
What are the key properties of 6-but-2-enoxyhexanehydrazide?
6-but-2-enoxyhexanehydrazide has a molecular weight of 200.28 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-2-enoxyhexanehydrazide is sourced from PubChem (CID 77024435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).