N-butyl-2-methylprop-2-enehydrazide

C8H16N2O — CID 22336374

IUPACN-butyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(N)CCCC
InChIInChI=1S/C8H16N2O/c1-4-5-6-10(9)8(11)7(2)3/h2,4-6,9H2,1,3H3
InChIKeyNDVVLMKQVHHMBS-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.06
Rot. Bonds4

About N-butyl-2-methylprop-2-enehydrazide

N-butyl-2-methylprop-2-enehydrazide (PubChem CID 22336374) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-butyl-2-methylprop-2-enehydrazide.

Molecular Properties

Compound NameN-butyl-2-methylprop-2-enehydrazide
PubChem CID22336374
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-butyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(N)CCCC
InChIInChI=1S/C8H16N2O/c1-4-5-6-10(9)8(11)7(2)3/h2,4-6,9H2,1,3H3
InChIKeyNDVVLMKQVHHMBS-UHFFFAOYSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylprop-2-enehydrazide?
The IUPAC name of N-butyl-2-methylprop-2-enehydrazide (CID 22336374) is N-butyl-2-methylprop-2-enehydrazide.
What is the SMILES notation for N-butyl-2-methylprop-2-enehydrazide?
The canonical SMILES for N-butyl-2-methylprop-2-enehydrazide is C=C(C)C(=O)N(N)CCCC.
What is the InChIKey of N-butyl-2-methylprop-2-enehydrazide?
The InChIKey is NDVVLMKQVHHMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-5-6-10(9)8(11)7(2)3/h2,4-6,9H2,1,3H3.
What are the key properties of N-butyl-2-methylprop-2-enehydrazide?
N-butyl-2-methylprop-2-enehydrazide has a molecular weight of 156.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylprop-2-enehydrazide is sourced from PubChem (CID 22336374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).