[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium

C11H23N2O+ — CID 101274924

IUPAC[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium
SMILESCCCC/C=C/C(=O)NC[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-7-8-9-11(14)12-10-13(2,3)4/h8-9H,5-7,10H2,1-4H3/p+1/b9-8+
InChIKeyASIVPBKKLFOCHJ-CMDGGOBGSA-O
MW199.32 g/mol
LogP1.51
Rot. Bonds6

About [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium

[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium (PubChem CID 101274924) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium.

Molecular Properties

Compound Name[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium
PubChem CID101274924
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Name[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium
SMILESCCCC/C=C/C(=O)NC[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-5-6-7-8-9-11(14)12-10-13(2,3)4/h8-9H,5-7,10H2,1-4H3/p+1/b9-8+
InChIKeyASIVPBKKLFOCHJ-CMDGGOBGSA-O
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl-[[[(E)-hept-2-enoyl]amino]methyl]azanium
CID 101274942
(E)-N-[2-(dimethylamino)ethyl]hept-2-enamide
CID 102117807
N-[2-(icos-2-enoylamino)ethyl]icos-2-enamide
CID 87333364
(E)-N-butyldec-2-enamide
CID 160628271
N-(2-sulfanylethyl)dec-2-enamide
CID 88633886
2-[[(E)-hexadec-2-enoyl]amino]acetic acid
CID 139292150
2-(dodec-2-enoylamino)acetic acid
CID 75296754
(E)-N-butyl-6-chlorohex-2-enamide
CID 154707012
methane;oct-3-en-2-one
CID 175702789
CID 158204021
CID 158204021
(Z)-N-(2-methylpropyl)dec-2-enamide
CID 140519128
3-[[(E)-oct-2-enoyl]amino]propanoic acid
CID 101276344

Frequently Asked Questions

What is the IUPAC name of [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium?
The IUPAC name of [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium (CID 101274924) is [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium.
What is the SMILES notation for [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium?
The canonical SMILES for [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium is CCCC/C=C/C(=O)NC[N+](C)(C)C.
What is the InChIKey of [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium?
The InChIKey is ASIVPBKKLFOCHJ-CMDGGOBGSA-O. The full InChI is InChI=1S/C11H22N2O/c1-5-6-7-8-9-11(14)12-10-13(2,3)4/h8-9H,5-7,10H2,1-4H3/p+1/b9-8+.
What are the key properties of [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium?
[[(E)-hept-2-enoyl]amino]methyl-trimethylazanium has a molecular weight of 199.32 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(E)-hept-2-enoyl]amino]methyl-trimethylazanium is sourced from PubChem (CID 101274924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).