N'-pentylprop-2-enehydrazide

C8H16N2O — CID 87501210

IUPACN'-pentylprop-2-enehydrazide
SMILESC=CC(=O)NNCCCCC
InChIInChI=1S/C8H16N2O/c1-3-5-6-7-9-10-8(11)4-2/h4,9H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyZTYOYPIEXDXRBU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.98
Rot. Bonds6

About N'-pentylprop-2-enehydrazide

N'-pentylprop-2-enehydrazide (PubChem CID 87501210) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-pentylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-pentylprop-2-enehydrazide
PubChem CID87501210
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-pentylprop-2-enehydrazide
SMILESC=CC(=O)NNCCCCC
InChIInChI=1S/C8H16N2O/c1-3-5-6-7-9-10-8(11)4-2/h4,9H,2-3,5-7H2,1H3,(H,10,11)
InChIKeyZTYOYPIEXDXRBU-UHFFFAOYSA-N
XLogP0.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-hexyl-2-methylprop-2-enehydrazide
CID 18424013
Methyl-(prop-2-enoylamino)azanium chloride
CID 19086392
N'-methylprop-2-enehydrazide
CID 19086393
N,N-bis(butan-2-ylamino)prop-2-enamide
CID 19087001
(Prop-2-enoylamino)-propylazanium chloride
CID 21744838
N'-propylprop-2-enehydrazide
CID 21744839
N'-ethylprop-2-enehydrazide
CID 22590851
N'-butylprop-2-enehydrazide
CID 23500143
N'-but-2-enylbut-2-enehydrazide
CID 57127357
2-(pentylamino)-1H-pyrazol-3-one
CID 67934212
N-ethyl-N'-pentylprop-2-enehydrazide
CID 87503677
N'-hexyl-N-methylprop-2-enehydrazide
CID 87503698

Frequently Asked Questions

What is the IUPAC name of N'-pentylprop-2-enehydrazide?
The IUPAC name of N'-pentylprop-2-enehydrazide (CID 87501210) is N'-pentylprop-2-enehydrazide.
What is the SMILES notation for N'-pentylprop-2-enehydrazide?
The canonical SMILES for N'-pentylprop-2-enehydrazide is C=CC(=O)NNCCCCC.
What is the InChIKey of N'-pentylprop-2-enehydrazide?
The InChIKey is ZTYOYPIEXDXRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-5-6-7-9-10-8(11)4-2/h4,9H,2-3,5-7H2,1H3,(H,10,11).
What are the key properties of N'-pentylprop-2-enehydrazide?
N'-pentylprop-2-enehydrazide has a molecular weight of 156.23 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentylprop-2-enehydrazide is sourced from PubChem (CID 87501210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).