methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium

C8H14NO2+ — CID 163892933

IUPACmethylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium
SMILESC=[N+]=C(C)C(=O)OCC(C)C
InChIInChI=1S/C8H14NO2/c1-6(2)5-11-8(10)7(3)9-4/h6H,4-5H2,1-3H3/q+1
InChIKeyURJGPCLQGSWOTH-UHFFFAOYSA-N
MW156.20 g/mol
LogP0.41
Rot. Bonds3

About methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium

methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium (PubChem CID 163892933) has the molecular formula C8H14NO2+ and a molecular weight of 156.20 g/mol. Its IUPAC name is methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium.

Molecular Properties

Compound Namemethylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium
PubChem CID163892933
Molecular FormulaC8H14NO2+
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Namemethylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium
SMILESC=[N+]=C(C)C(=O)OCC(C)C
InChIInChI=1S/C8H14NO2/c1-6(2)5-11-8(10)7(3)9-4/h6H,4-5H2,1-3H3/q+1
InChIKeyURJGPCLQGSWOTH-UHFFFAOYSA-N
XLogP0.41
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-N-methyl-1-oxopropan-2-imine oxide
CID 10877249
Ethyl (2E)-2-(butylimino)propanoate
CID 12330082
Ethyl 2-methyl-3-methyliminobutanoate
CID 12399141
Ethyl 2-methyliminopropanoate
CID 20717755
Ethyl 2-methylpropanoate;propan-2-ylideneazanide
CID 54289731
Ethyl 2-ethyliminopropanoate
CID 57041047
Ethyl 2-tert-butyliminopropanoate
CID 57049587
Ethyl 3-ethylimino-2-methylpropanoate
CID 57236198
3-Methyliminobutyl propanoate
CID 58544166
Propyl 2-propyliminopropanoate
CID 91162033
Ethyl 3-methyl-2-methyliminobutanoate
CID 123176701
Ethyl 2-propyliminopropanoate
CID 134312463

Frequently Asked Questions

What is the IUPAC name of methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium?
The IUPAC name of methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium (CID 163892933) is methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium.
What is the SMILES notation for methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium?
The canonical SMILES for methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium is C=[N+]=C(C)C(=O)OCC(C)C.
What is the InChIKey of methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium?
The InChIKey is URJGPCLQGSWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2/c1-6(2)5-11-8(10)7(3)9-4/h6H,4-5H2,1-3H3/q+1.
What are the key properties of methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium?
methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium has a molecular weight of 156.20 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[1-(2-methylpropoxy)-1-oxopropan-2-ylidene]azanium is sourced from PubChem (CID 163892933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).