methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide

C6H12NO2- — CID 58555140

IUPACmethyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide
SMILESC[N-]/C=C(\C)COOC
InChIInChI=1S/C6H12NO2/c1-6(4-7-2)5-9-8-3/h4H,5H2,1-3H3/q-1/b6-4+
InChIKeySMXYYVIDVOMIKQ-GQCTYLIASA-N
MW130.17 g/mol
LogP1.47
Rot. Bonds4

About methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide

methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide (PubChem CID 58555140) has the molecular formula C6H12NO2- and a molecular weight of 130.17 g/mol. Its IUPAC name is methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide.

Molecular Properties

Compound Namemethyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide
PubChem CID58555140
Molecular FormulaC6H12NO2-
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namemethyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide
SMILESC[N-]/C=C(\C)COOC
InChIInChI=1S/C6H12NO2/c1-6(4-7-2)5-9-8-3/h4H,5H2,1-3H3/q-1/b6-4+
InChIKeySMXYYVIDVOMIKQ-GQCTYLIASA-N
XLogP1.47
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,2-dimethyl-3-methylperoxyprop-1-en-1-amine
CID 59592039
1-methoxy-2-methyl-3-methylperoxyprop-1-en-1-ol
CID 58843837
(E)-1-chloro-3-methoxy-2-methylprop-1-ene
CID 6382159
(3Z,5E)-5-ethyl-N,6-dimethyl-7-methylperoxyhepta-1,3,5-trien-2-amine
CID 155183684
2-dimethoxyphosphoryl-3-methylperoxyprop-1-ene
CID 87769381
4-methylperoxybutan-2-one
CID 20686661
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
CID 63775244
3-chloro-N-methoxy-2-methylprop-2-en-1-amine
CID 106437820
(Z)-1-methoxy-2-methylbut-1-ene
CID 3033475
(Z)-1-(3,5-difluorophenyl)-N-methyl-3-methylperoxyprop-1-en-2-amine
CID 58759951
(E)-4-methylperoxybut-2-enoate
CID 18709902

Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide?
The IUPAC name of methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide (CID 58555140) is methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide.
What is the SMILES notation for methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide?
The canonical SMILES for methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide is C[N-]/C=C(\C)COOC.
What is the InChIKey of methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide?
The InChIKey is SMXYYVIDVOMIKQ-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12NO2/c1-6(4-7-2)5-9-8-3/h4H,5H2,1-3H3/q-1/b6-4+.
What are the key properties of methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide?
methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide has a molecular weight of 130.17 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-2-methyl-3-methylperoxyprop-1-enyl]azanide is sourced from PubChem (CID 58555140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).