dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium

C11H15N2O3+ — CID 123142289

IUPACdimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium
SMILESC=CC(=O)NC=CC(=O)[N+](C)(C)C(=O)C=C
InChIInChI=1S/C11H14N2O3/c1-5-9(14)12-8-7-11(16)13(3,4)10(15)6-2/h5-8H,1-2H2,3-4H3/p+1
InChIKeyAVDWFVGGUPWIGZ-UHFFFAOYSA-O
MW223.25 g/mol
LogP0.12
Rot. Bonds4

About dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium

dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium (PubChem CID 123142289) has the molecular formula C11H15N2O3+ and a molecular weight of 223.25 g/mol. Its IUPAC name is dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium.

Molecular Properties

Compound Namedimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium
PubChem CID123142289
Molecular FormulaC11H15N2O3+
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Namedimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium
SMILESC=CC(=O)NC=CC(=O)[N+](C)(C)C(=O)C=C
InChIInChI=1S/C11H14N2O3/c1-5-9(14)12-8-7-11(16)13(3,4)10(15)6-2/h5-8H,1-2H2,3-4H3/p+1
InChIKeyAVDWFVGGUPWIGZ-UHFFFAOYSA-O
XLogP0.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium?
The IUPAC name of dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium (CID 123142289) is dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium.
What is the SMILES notation for dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium?
The canonical SMILES for dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium is C=CC(=O)NC=CC(=O)[N+](C)(C)C(=O)C=C.
What is the InChIKey of dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium?
The InChIKey is AVDWFVGGUPWIGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O3/c1-5-9(14)12-8-7-11(16)13(3,4)10(15)6-2/h5-8H,1-2H2,3-4H3/p+1.
What are the key properties of dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium?
dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium has a molecular weight of 223.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-2-enoyl-[3-(prop-2-enoylamino)prop-2-enoyl]azanium is sourced from PubChem (CID 123142289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).