bis(prop-2-enyl) 3-aminohex-3-enedioate

C12H17NO4 — CID 139710356

IUPACbis(prop-2-enyl) 3-aminohex-3-enedioate
SMILESC=CCOC(=O)CC=C(N)CC(=O)OCC=C
InChIInChI=1S/C12H17NO4/c1-3-7-16-11(14)6-5-10(13)9-12(15)17-8-4-2/h3-5H,1-2,6-9,13H2
InChIKeyFGCAUUFFUMDKSB-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.07
Rot. Bonds8

About bis(prop-2-enyl) 3-aminohex-3-enedioate

bis(prop-2-enyl) 3-aminohex-3-enedioate (PubChem CID 139710356) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is bis(prop-2-enyl) 3-aminohex-3-enedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 3-aminohex-3-enedioate
PubChem CID139710356
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namebis(prop-2-enyl) 3-aminohex-3-enedioate
SMILESC=CCOC(=O)CC=C(N)CC(=O)OCC=C
InChIInChI=1S/C12H17NO4/c1-3-7-16-11(14)6-5-10(13)9-12(15)17-8-4-2/h3-5H,1-2,6-9,13H2
InChIKeyFGCAUUFFUMDKSB-UHFFFAOYSA-N
XLogP1.07
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;prop-2-enyl but-3-enoate
CID 88514758
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866
prop-2-enyl 4-hydroxybut-3-enoate
CID 173111273
prop-2-enyl (3E)-hexa-3,5-dienoate
CID 12943289
prop-2-enyl 4-hydroxy-3-methylbut-3-enoate
CID 173153016
bis(prop-2-enyl) propanedioate;deca-1,9-diene
CID 174429542
bis(prop-2-enyl) propanedioate;2,4,6-tris(prop-2-enoxy)-1,3,5-triazine
CID 70588479
azane;prop-2-enyl propanoate
CID 87729437
4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
prop-2-enyl 3-ethyliminobutanoate
CID 139895353
carbamic acid;prop-2-enyl carbamate
CID 87466810
chloromethane;prop-2-enyl propanoate
CID 174815872

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 3-aminohex-3-enedioate?
The IUPAC name of bis(prop-2-enyl) 3-aminohex-3-enedioate (CID 139710356) is bis(prop-2-enyl) 3-aminohex-3-enedioate.
What is the SMILES notation for bis(prop-2-enyl) 3-aminohex-3-enedioate?
The canonical SMILES for bis(prop-2-enyl) 3-aminohex-3-enedioate is C=CCOC(=O)CC=C(N)CC(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 3-aminohex-3-enedioate?
The InChIKey is FGCAUUFFUMDKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-7-16-11(14)6-5-10(13)9-12(15)17-8-4-2/h3-5H,1-2,6-9,13H2.
What are the key properties of bis(prop-2-enyl) 3-aminohex-3-enedioate?
bis(prop-2-enyl) 3-aminohex-3-enedioate has a molecular weight of 239.27 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 3-aminohex-3-enedioate is sourced from PubChem (CID 139710356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).