dimethyl-bis(prop-2-enoylamino)azanium

C8H14N3O2+ — CID 87552386

IUPACdimethyl-bis(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](C)(C)NC(=O)C=C
InChIInChI=1S/C8H13N3O2/c1-5-7(12)9-11(3,4)10-8(13)6-2/h5-6H,1-2H2,3-4H3,(H-,9,10,12,13)/p+1
InChIKeyGJSBFZBBACZNSB-UHFFFAOYSA-O
MW184.22 g/mol
LogP-0.50
Rot. Bonds4

About dimethyl-bis(prop-2-enoylamino)azanium

dimethyl-bis(prop-2-enoylamino)azanium (PubChem CID 87552386) has the molecular formula C8H14N3O2+ and a molecular weight of 184.22 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enoylamino)azanium.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enoylamino)azanium
PubChem CID87552386
Molecular FormulaC8H14N3O2+
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Namedimethyl-bis(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](C)(C)NC(=O)C=C
InChIInChI=1S/C8H13N3O2/c1-5-7(12)9-11(3,4)10-8(13)6-2/h5-6H,1-2H2,3-4H3,(H-,9,10,12,13)/p+1
InChIKeyGJSBFZBBACZNSB-UHFFFAOYSA-O
XLogP-0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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-bis(prop-2-enoylamino)azanium?
The IUPAC name of dimethyl-bis(prop-2-enoylamino)azanium (CID 87552386) is dimethyl-bis(prop-2-enoylamino)azanium.
What is the SMILES notation for dimethyl-bis(prop-2-enoylamino)azanium?
The canonical SMILES for dimethyl-bis(prop-2-enoylamino)azanium is C=CC(=O)N[N+](C)(C)NC(=O)C=C.
What is the InChIKey of dimethyl-bis(prop-2-enoylamino)azanium?
The InChIKey is GJSBFZBBACZNSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H13N3O2/c1-5-7(12)9-11(3,4)10-8(13)6-2/h5-6H,1-2H2,3-4H3,(H-,9,10,12,13)/p+1.
What are the key properties of dimethyl-bis(prop-2-enoylamino)azanium?
dimethyl-bis(prop-2-enoylamino)azanium has a molecular weight of 184.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enoylamino)azanium is sourced from PubChem (CID 87552386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).