trimethyl-(prop-2-enoylamino)azanium

C6H13N2O+ — CID 19598173

IUPACtrimethyl-(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](C)(C)C
InChIInChI=1S/C6H12N2O/c1-5-6(9)7-8(2,3)4/h5H,1H2,2-4H3/p+1
InChIKeyYHIDURDEONJKQX-UHFFFAOYSA-O
MW129.18 g/mol
LogP-0.09
Rot. Bonds2

About trimethyl-(prop-2-enoylamino)azanium

trimethyl-(prop-2-enoylamino)azanium (PubChem CID 19598173) has the molecular formula C6H13N2O+ and a molecular weight of 129.18 g/mol. Its IUPAC name is trimethyl-(prop-2-enoylamino)azanium.

Molecular Properties

Compound Nametrimethyl-(prop-2-enoylamino)azanium
PubChem CID19598173
Molecular FormulaC6H13N2O+
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Nametrimethyl-(prop-2-enoylamino)azanium
SMILESC=CC(=O)N[N+](C)(C)C
InChIInChI=1S/C6H12N2O/c1-5-6(9)7-8(2,3)4/h5H,1H2,2-4H3/p+1
InChIKeyYHIDURDEONJKQX-UHFFFAOYSA-O
XLogP-0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trimethyl-(prop-2-enoylamino)azanium?
The IUPAC name of trimethyl-(prop-2-enoylamino)azanium (CID 19598173) is trimethyl-(prop-2-enoylamino)azanium.
What is the SMILES notation for trimethyl-(prop-2-enoylamino)azanium?
The canonical SMILES for trimethyl-(prop-2-enoylamino)azanium is C=CC(=O)N[N+](C)(C)C.
What is the InChIKey of trimethyl-(prop-2-enoylamino)azanium?
The InChIKey is YHIDURDEONJKQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O/c1-5-6(9)7-8(2,3)4/h5H,1H2,2-4H3/p+1.
What are the key properties of trimethyl-(prop-2-enoylamino)azanium?
trimethyl-(prop-2-enoylamino)azanium has a molecular weight of 129.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(prop-2-enoylamino)azanium is sourced from PubChem (CID 19598173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).