N-butyl-N'-ethylprop-2-enehydrazide

C9H18N2O — CID 87503885

IUPACN-butyl-N'-ethylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)NCC
InChIInChI=1S/C9H18N2O/c1-4-7-8-11(10-6-3)9(12)5-2/h5,10H,2,4,6-8H2,1,3H3
InChIKeyKDRYNHUZLGNWJQ-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.33
Rot. Bonds6

About N-butyl-N'-ethylprop-2-enehydrazide

N-butyl-N'-ethylprop-2-enehydrazide (PubChem CID 87503885) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-butyl-N'-ethylprop-2-enehydrazide.

Molecular Properties

Compound NameN-butyl-N'-ethylprop-2-enehydrazide
PubChem CID87503885
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-butyl-N'-ethylprop-2-enehydrazide
SMILESC=CC(=O)N(CCCC)NCC
InChIInChI=1S/C9H18N2O/c1-4-7-8-11(10-6-3)9(12)5-2/h5,10H,2,4,6-8H2,1,3H3
InChIKeyKDRYNHUZLGNWJQ-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-ethylprop-2-enehydrazide?
The IUPAC name of N-butyl-N'-ethylprop-2-enehydrazide (CID 87503885) is N-butyl-N'-ethylprop-2-enehydrazide.
What is the SMILES notation for N-butyl-N'-ethylprop-2-enehydrazide?
The canonical SMILES for N-butyl-N'-ethylprop-2-enehydrazide is C=CC(=O)N(CCCC)NCC.
What is the InChIKey of N-butyl-N'-ethylprop-2-enehydrazide?
The InChIKey is KDRYNHUZLGNWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-7-8-11(10-6-3)9(12)5-2/h5,10H,2,4,6-8H2,1,3H3.
What are the key properties of N-butyl-N'-ethylprop-2-enehydrazide?
N-butyl-N'-ethylprop-2-enehydrazide has a molecular weight of 170.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-ethylprop-2-enehydrazide is sourced from PubChem (CID 87503885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).