N'-ethyl-2-methyl-N-propylprop-2-enehydrazide

C9H18N2O — CID 87503920

IUPACN'-ethyl-2-methyl-N-propylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CCC)NCC
InChIInChI=1S/C9H18N2O/c1-5-7-11(10-6-2)9(12)8(3)4/h10H,3,5-7H2,1-2,4H3
InChIKeyKVYCHYDHLIAGTF-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.33
Rot. Bonds5

About N'-ethyl-2-methyl-N-propylprop-2-enehydrazide

N'-ethyl-2-methyl-N-propylprop-2-enehydrazide (PubChem CID 87503920) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N'-ethyl-2-methyl-N-propylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-ethyl-2-methyl-N-propylprop-2-enehydrazide
PubChem CID87503920
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN'-ethyl-2-methyl-N-propylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CCC)NCC
InChIInChI=1S/C9H18N2O/c1-5-7-11(10-6-2)9(12)8(3)4/h10H,3,5-7H2,1-2,4H3
InChIKeyKVYCHYDHLIAGTF-UHFFFAOYSA-N
XLogP1.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2-methyl-N-propylprop-2-enehydrazide?
The IUPAC name of N'-ethyl-2-methyl-N-propylprop-2-enehydrazide (CID 87503920) is N'-ethyl-2-methyl-N-propylprop-2-enehydrazide.
What is the SMILES notation for N'-ethyl-2-methyl-N-propylprop-2-enehydrazide?
The canonical SMILES for N'-ethyl-2-methyl-N-propylprop-2-enehydrazide is C=C(C)C(=O)N(CCC)NCC.
What is the InChIKey of N'-ethyl-2-methyl-N-propylprop-2-enehydrazide?
The InChIKey is KVYCHYDHLIAGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-7-11(10-6-2)9(12)8(3)4/h10H,3,5-7H2,1-2,4H3.
What are the key properties of N'-ethyl-2-methyl-N-propylprop-2-enehydrazide?
N'-ethyl-2-methyl-N-propylprop-2-enehydrazide has a molecular weight of 170.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2-methyl-N-propylprop-2-enehydrazide is sourced from PubChem (CID 87503920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).