azane;ethane;bis(methyl 2-methylprop-2-enoate)

C12H25NO4 — CID 173203662

IUPACazane;ethane;bis(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.CC.N
InChIInChI=1S/2C5H8O2.C2H6.H3N/c2*1-4(2)5(6)7-3;1-2;/h2*1H2,2-3H3;1-2H3;1H3
InChIKeyMCLOCAMHMULLOW-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.66
Rot. Bonds2

About azane;ethane;bis(methyl 2-methylprop-2-enoate)

azane;ethane;bis(methyl 2-methylprop-2-enoate) (PubChem CID 173203662) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is azane;ethane;bis(methyl 2-methylprop-2-enoate).

Molecular Properties

Compound Nameazane;ethane;bis(methyl 2-methylprop-2-enoate)
PubChem CID173203662
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameazane;ethane;bis(methyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.CC.N
InChIInChI=1S/2C5H8O2.C2H6.H3N/c2*1-4(2)5(6)7-3;1-2;/h2*1H2,2-3H3;1-2H3;1H3
InChIKeyMCLOCAMHMULLOW-UHFFFAOYSA-N
XLogP2.66
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
methyl 2-methylprop-2-enoate;nickel
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CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
deuterium monohydride;methyl 2-methylprop-2-enoate
CID 161063033
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
methyl 2-methylprop-2-enoate;tribromobismuthane
CID 88520030
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetic acid;acetylene;methyl 2-methylprop-2-enoate
CID 88821199
benzene;methane;bis(methyl 2-methylprop-2-enoate)
CID 174531928

Frequently Asked Questions

What is the IUPAC name of azane;ethane;bis(methyl 2-methylprop-2-enoate)?
The IUPAC name of azane;ethane;bis(methyl 2-methylprop-2-enoate) (CID 173203662) is azane;ethane;bis(methyl 2-methylprop-2-enoate).
What is the SMILES notation for azane;ethane;bis(methyl 2-methylprop-2-enoate)?
The canonical SMILES for azane;ethane;bis(methyl 2-methylprop-2-enoate) is C=C(C)C(=O)OC.C=C(C)C(=O)OC.CC.N.
What is the InChIKey of azane;ethane;bis(methyl 2-methylprop-2-enoate)?
The InChIKey is MCLOCAMHMULLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8O2.C2H6.H3N/c2*1-4(2)5(6)7-3;1-2;/h2*1H2,2-3H3;1-2H3;1H3.
What are the key properties of azane;ethane;bis(methyl 2-methylprop-2-enoate)?
azane;ethane;bis(methyl 2-methylprop-2-enoate) has a molecular weight of 247.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;bis(methyl 2-methylprop-2-enoate) is sourced from PubChem (CID 173203662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).