acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium

C10H19N2O3+ — CID 91301413

IUPACacetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](C)(C)OC(C)=O
InChIInChI=1S/C10H18N2O3/c1-5-10(14)11-7-6-8-12(3,4)15-9(2)13/h5H,1,6-8H2,2-4H3/p+1
InChIKeyDPFOOEYNIIWWHO-UHFFFAOYSA-O
MW215.27 g/mol
LogP0.23
Rot. Bonds6

About acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium

acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium (PubChem CID 91301413) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nameacetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
PubChem CID91301413
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Nameacetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium
SMILESC=CC(=O)NCCC[N+](C)(C)OC(C)=O
InChIInChI=1S/C10H18N2O3/c1-5-10(14)11-7-6-8-12(3,4)15-9(2)13/h5H,1,6-8H2,2-4H3/p+1
InChIKeyDPFOOEYNIIWWHO-UHFFFAOYSA-O
XLogP0.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N,N-Dimethylaminopropyl acrylamide
CID 77452
Prop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 156322
Trimethyl-[3-(prop-2-enoylamino)propyl]azanium
CID 156323
Poly(carboxybetaine acrylamide)
CID 12851415
N-methyl-N-[3-(methylamino)propyl]prop-2-enamide
CID 22239202
N-[3-(dimethylamino)propyl]acrylamide acrylamide
CID 86757471
Prop-2-enoic acid;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 87589082
2-(3-Acrylamidopropyldimethylammonio)-ethanoate
CID 88156722
3-[(3-Acrylamidopropyl)dimethylammonium] propanoate
CID 169093048
3-(N,N-Diethylamino)propylacrylamide
CID 11194734
N-[3-(dimethylamino)propyl]acrylamide N-oxide
CID 175672764
(E)-4-[3-(diethylazaniumyl)propylamino]-4-oxobut-2-enoate
CID 1678791

Frequently Asked Questions

What is the IUPAC name of acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The IUPAC name of acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium (CID 91301413) is acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium.
What is the SMILES notation for acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The canonical SMILES for acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium is C=CC(=O)NCCC[N+](C)(C)OC(C)=O.
What is the InChIKey of acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
The InChIKey is DPFOOEYNIIWWHO-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H18N2O3/c1-5-10(14)11-7-6-8-12(3,4)15-9(2)13/h5H,1,6-8H2,2-4H3/p+1.
What are the key properties of acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium?
acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium has a molecular weight of 215.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-dimethyl-[3-(prop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 91301413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).