(2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium

C7H15N2O+ — CID 3047472

IUPAC(2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC(N)=O
InChIInChI=1S/C7H14N2O/c1-4-5-9(2,3)6-7(8)10/h4H,1,5-6H2,2-3H3,(H-,8,10)/p+1
InChIKeyHXZFCICQYDXOKJ-UHFFFAOYSA-O
MW143.21 g/mol
LogP-0.27
Rot. Bonds4

About (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium

(2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium (PubChem CID 3047472) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium
PubChem CID3047472
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC Name(2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium
SMILESC=CC[N+](C)(C)CC(N)=O
InChIInChI=1S/C7H14N2O/c1-4-5-9(2,3)6-7(8)10/h4H,1,5-6H2,2-3H3,(H-,8,10)/p+1
InChIKeyHXZFCICQYDXOKJ-UHFFFAOYSA-O
XLogP-0.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium?
The IUPAC name of (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium (CID 3047472) is (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium?
The canonical SMILES for (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium is C=CC[N+](C)(C)CC(N)=O.
What is the InChIKey of (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium?
The InChIKey is HXZFCICQYDXOKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-4-5-9(2,3)6-7(8)10/h4H,1,5-6H2,2-3H3,(H-,8,10)/p+1.
What are the key properties of (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium?
(2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium has a molecular weight of 143.21 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-dimethyl-prop-2-enylazanium is sourced from PubChem (CID 3047472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).