tert-butyl formate;pentan-3-ylidenehydrazine

C10H22N2O2 — CID 174635852

IUPACtert-butyl formate;pentan-3-ylidenehydrazine
SMILESCC(C)(C)OC=O.CCC(CC)=NN
InChIInChI=1S/C5H12N2.C5H10O2/c1-3-5(4-2)7-6;1-5(2,3)7-4-6/h3-4,6H2,1-2H3;4H,1-3H3
InChIKeyVTPXDUXWNQDAAJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.08
Rot. Bonds3

About tert-butyl formate;pentan-3-ylidenehydrazine

tert-butyl formate;pentan-3-ylidenehydrazine (PubChem CID 174635852) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl formate;pentan-3-ylidenehydrazine.

Molecular Properties

Compound Nametert-butyl formate;pentan-3-ylidenehydrazine
PubChem CID174635852
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl formate;pentan-3-ylidenehydrazine
SMILESCC(C)(C)OC=O.CCC(CC)=NN
InChIInChI=1S/C5H12N2.C5H10O2/c1-3-5(4-2)7-6;1-5(2,3)7-4-6/h3-4,6H2,1-2H3;4H,1-3H3
InChIKeyVTPXDUXWNQDAAJ-UHFFFAOYSA-N
XLogP2.08
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 tert-butyl formate;pentan-3-ylidenehydrazine?
The IUPAC name of tert-butyl formate;pentan-3-ylidenehydrazine (CID 174635852) is tert-butyl formate;pentan-3-ylidenehydrazine.
What is the SMILES notation for tert-butyl formate;pentan-3-ylidenehydrazine?
The canonical SMILES for tert-butyl formate;pentan-3-ylidenehydrazine is CC(C)(C)OC=O.CCC(CC)=NN.
What is the InChIKey of tert-butyl formate;pentan-3-ylidenehydrazine?
The InChIKey is VTPXDUXWNQDAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H10O2/c1-3-5(4-2)7-6;1-5(2,3)7-4-6/h3-4,6H2,1-2H3;4H,1-3H3.
What are the key properties of tert-butyl formate;pentan-3-ylidenehydrazine?
tert-butyl formate;pentan-3-ylidenehydrazine has a molecular weight of 202.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;pentan-3-ylidenehydrazine is sourced from PubChem (CID 174635852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).