1-methoxybut-3-en-2-ylhydrazine

C5H12N2O — CID 105207123

IUPAC1-methoxybut-3-en-2-ylhydrazine
SMILESC=CC(COC)NN
InChIInChI=1S/C5H12N2O/c1-3-5(7-6)4-8-2/h3,5,7H,1,4,6H2,2H3
InChIKeyAVTWDMMRBBHBGM-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.35
Rot. Bonds4

About 1-methoxybut-3-en-2-ylhydrazine

1-methoxybut-3-en-2-ylhydrazine (PubChem CID 105207123) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-methoxybut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name1-methoxybut-3-en-2-ylhydrazine
PubChem CID105207123
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name1-methoxybut-3-en-2-ylhydrazine
SMILESC=CC(COC)NN
InChIInChI=1S/C5H12N2O/c1-3-5(7-6)4-8-2/h3,5,7H,1,4,6H2,2H3
InChIKeyAVTWDMMRBBHBGM-UHFFFAOYSA-N
XLogP-0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-Trifluoroethoxy)but-3-en-2-ylhydrazine
CID 103217597
1-(2,2,3,3-Tetrafluoropropoxy)but-3-en-2-ylhydrazine
CID 103477612
3-(methoxymethyl)-2,3-dihydro-1H-pyrazole
CID 175354862
5-Methoxypent-1-en-3-ylhydrazine
CID 105206252
1-Methoxypent-4-en-2-ylhydrazine
CID 105207277
(1-Methoxy-3-methylbut-3-en-2-yl)hydrazine
CID 105207358
(1-Methoxy-4-methylpent-3-en-2-yl)hydrazine
CID 105207386
1-Propoxybut-3-en-2-ylhydrazine
CID 105209911
1-Propoxypent-4-en-2-ylhydrazine
CID 105210056
4-Ethoxypent-1-en-3-ylhydrazine
CID 105222729
1-Ethoxybut-3-en-2-ylhydrazine
CID 105235208
1-Ethoxypent-4-en-2-ylhydrazine
CID 105235339

Frequently Asked Questions

What is the IUPAC name of 1-methoxybut-3-en-2-ylhydrazine?
The IUPAC name of 1-methoxybut-3-en-2-ylhydrazine (CID 105207123) is 1-methoxybut-3-en-2-ylhydrazine.
What is the SMILES notation for 1-methoxybut-3-en-2-ylhydrazine?
The canonical SMILES for 1-methoxybut-3-en-2-ylhydrazine is C=CC(COC)NN.
What is the InChIKey of 1-methoxybut-3-en-2-ylhydrazine?
The InChIKey is AVTWDMMRBBHBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-3-5(7-6)4-8-2/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 1-methoxybut-3-en-2-ylhydrazine?
1-methoxybut-3-en-2-ylhydrazine has a molecular weight of 116.16 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybut-3-en-2-ylhydrazine is sourced from PubChem (CID 105207123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).