(1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium

C10H21N2O+ — CID 174908395

IUPAC(1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium
SMILESCC=CC(=O)C(N)[N+](C)(C)CCC
InChIInChI=1S/C10H21N2O/c1-5-7-9(13)10(11)12(3,4)8-6-2/h5,7,10H,6,8,11H2,1-4H3/q+1
InChIKeyLYOWPJQHEBIIEB-UHFFFAOYSA-N
MW185.29 g/mol
LogP0.90
Rot. Bonds5

About (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium

(1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium (PubChem CID 174908395) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium.

Molecular Properties

Compound Name(1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium
PubChem CID174908395
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium
SMILESCC=CC(=O)C(N)[N+](C)(C)CCC
InChIInChI=1S/C10H21N2O/c1-5-7-9(13)10(11)12(3,4)8-6-2/h5,7,10H,6,8,11H2,1-4H3/q+1
InChIKeyLYOWPJQHEBIIEB-UHFFFAOYSA-N
XLogP0.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium?
The IUPAC name of (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium (CID 174908395) is (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium.
What is the SMILES notation for (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium?
The canonical SMILES for (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium is CC=CC(=O)C(N)[N+](C)(C)CCC.
What is the InChIKey of (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium?
The InChIKey is LYOWPJQHEBIIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O/c1-5-7-9(13)10(11)12(3,4)8-6-2/h5,7,10H,6,8,11H2,1-4H3/q+1.
What are the key properties of (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium?
(1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium has a molecular weight of 185.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-oxopent-3-enyl)-dimethyl-propylazanium is sourced from PubChem (CID 174908395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).