6-N'-(2-methylprop-2-enoyl)hexanedihydrazide

C10H18N4O3 — CID 162361441

IUPAC6-N'-(2-methylprop-2-enoyl)hexanedihydrazide
SMILESC=C(C)C(=O)NNC(=O)CCCCC(=O)NN
InChIInChI=1S/C10H18N4O3/c1-7(2)10(17)14-13-9(16)6-4-3-5-8(15)12-11/h1,3-6,11H2,2H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyBHGYKAULPUIKLA-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.74
Rot. Bonds6

About 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide

6-N'-(2-methylprop-2-enoyl)hexanedihydrazide (PubChem CID 162361441) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide.

Molecular Properties

Compound Name6-N'-(2-methylprop-2-enoyl)hexanedihydrazide
PubChem CID162361441
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name6-N'-(2-methylprop-2-enoyl)hexanedihydrazide
SMILESC=C(C)C(=O)NNC(=O)CCCCC(=O)NN
InChIInChI=1S/C10H18N4O3/c1-7(2)10(17)14-13-9(16)6-4-3-5-8(15)12-11/h1,3-6,11H2,2H3,(H,12,15)(H,13,16)(H,14,17)
InChIKeyBHGYKAULPUIKLA-UHFFFAOYSA-N
XLogP-0.74
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride
CID 18998007
hexanedihydrazide;pentanedihydrazide
CID 157195533
(13-hydrazinyl-13-oxotridecyl) 2-methylprop-2-enoate
CID 87973462
5-oxohexanehydrazide
CID 126993835
2-[2-[4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoyl]oxyethoxy]ethyl 4-[2-(6-hydrazinyl-6-oxohexanoyl)hydrazinyl]-4-oxobutanoate
CID 176738787
12-hydroxydodecanehydrazide
CID 12718243
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
N-(2-methylprop-2-enoyl)heptadecanamide
CID 91422335
tert-butyl N-[6-(2-methylprop-2-enoylamino)hexanoylamino]carbamate
CID 87662767
hexanehydrazide;2,2,2-trifluoroacetic acid
CID 161488585
11-acetyltetradec-11-enehydrazide
CID 122685105
1-N',9-N'-di(heptanoyl)nonanedihydrazide
CID 154340616

Frequently Asked Questions

What is the IUPAC name of 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide?
The IUPAC name of 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide (CID 162361441) is 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide.
What is the SMILES notation for 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide?
The canonical SMILES for 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide is C=C(C)C(=O)NNC(=O)CCCCC(=O)NN.
What is the InChIKey of 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide?
The InChIKey is BHGYKAULPUIKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-7(2)10(17)14-13-9(16)6-4-3-5-8(15)12-11/h1,3-6,11H2,2H3,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide?
6-N'-(2-methylprop-2-enoyl)hexanedihydrazide has a molecular weight of 242.28 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N'-(2-methylprop-2-enoyl)hexanedihydrazide is sourced from PubChem (CID 162361441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).