dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide

C11H21N2O+ — CID 23514292

IUPACdimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
SMILESC=CC(N)=O.C=CC[N+](C)(C)CC=C
InChIInChI=1S/C8H16N.C3H5NO/c1-5-7-9(3,4)8-6-2;1-2-3(4)5/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyBDKMKOTWLQQMCL-UHFFFAOYSA-N
MW197.30 g/mol
LogP1.09
Rot. Bonds5

About dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide

dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide (PubChem CID 23514292) has the molecular formula C11H21N2O+ and a molecular weight of 197.30 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
PubChem CID23514292
Molecular FormulaC11H21N2O+
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;prop-2-enamide
SMILESC=CC(N)=O.C=CC[N+](C)(C)CC=C
InChIInChI=1S/C8H16N.C3H5NO/c1-5-7-9(3,4)8-6-2;1-2-3(4)5/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5)/q+1;
InChIKeyBDKMKOTWLQQMCL-UHFFFAOYSA-N
XLogP1.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide (CID 23514292) is dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide is C=CC(N)=O.C=CC[N+](C)(C)CC=C.
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide?
The InChIKey is BDKMKOTWLQQMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.C3H5NO/c1-5-7-9(3,4)8-6-2;1-2-3(4)5/h5-6H,1-2,7-8H2,3-4H3;2H,1H2,(H2,4,5)/q+1;.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide?
dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide has a molecular weight of 197.30 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;prop-2-enamide is sourced from PubChem (CID 23514292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).