N-tert-butyl-3-methoxyprop-2-enehydrazide

C8H16N2O2 — CID 142723535

IUPACN-tert-butyl-3-methoxyprop-2-enehydrazide
SMILESCOC=CC(=O)N(N)C(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-8(2,3)10(9)7(11)5-6-12-4/h5-6H,9H2,1-4H3
InChIKeyWVNLGIJMANYPGE-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.65
Rot. Bonds2

About N-tert-butyl-3-methoxyprop-2-enehydrazide

N-tert-butyl-3-methoxyprop-2-enehydrazide (PubChem CID 142723535) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N-tert-butyl-3-methoxyprop-2-enehydrazide.

Molecular Properties

Compound NameN-tert-butyl-3-methoxyprop-2-enehydrazide
PubChem CID142723535
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN-tert-butyl-3-methoxyprop-2-enehydrazide
SMILESCOC=CC(=O)N(N)C(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-8(2,3)10(9)7(11)5-6-12-4/h5-6H,9H2,1-4H3
InChIKeyWVNLGIJMANYPGE-UHFFFAOYSA-N
XLogP0.65
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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-tert-butyl-3-methoxyprop-2-enehydrazide?
The IUPAC name of N-tert-butyl-3-methoxyprop-2-enehydrazide (CID 142723535) is N-tert-butyl-3-methoxyprop-2-enehydrazide.
What is the SMILES notation for N-tert-butyl-3-methoxyprop-2-enehydrazide?
The canonical SMILES for N-tert-butyl-3-methoxyprop-2-enehydrazide is COC=CC(=O)N(N)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methoxyprop-2-enehydrazide?
The InChIKey is WVNLGIJMANYPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,3)10(9)7(11)5-6-12-4/h5-6H,9H2,1-4H3.
What are the key properties of N-tert-butyl-3-methoxyprop-2-enehydrazide?
N-tert-butyl-3-methoxyprop-2-enehydrazide has a molecular weight of 172.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methoxyprop-2-enehydrazide is sourced from PubChem (CID 142723535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).