2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium

C6H10NO4P — CID 154599046

IUPAC2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
SMILESC=C(C)C(=O)NCCO[P+](=O)[O-]
InChIInChI=1S/C6H10NO4P/c1-5(2)6(8)7-3-4-11-12(9)10/h1,3-4H2,2H3,(H,7,8)
InChIKeyBRNIIDCZWCCOBX-UHFFFAOYSA-N
MW191.12 g/mol
LogP-0.29
Rot. Bonds5

About 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium

2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium (PubChem CID 154599046) has the molecular formula C6H10NO4P and a molecular weight of 191.12 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
PubChem CID154599046
Molecular FormulaC6H10NO4P
Molecular Weight191.12 g/mol
Exact Mass191.03
IUPAC Name2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium
SMILESC=C(C)C(=O)NCCO[P+](=O)[O-]
InChIInChI=1S/C6H10NO4P/c1-5(2)6(8)7-3-4-11-12(9)10/h1,3-4H2,2H3,(H,7,8)
InChIKeyBRNIIDCZWCCOBX-UHFFFAOYSA-N
XLogP-0.29
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-acetamidoethoxy-oxido-oxophosphanium
CID 6372292
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-methyl-N-[2-(6-methyl-5-oxohept-6-enoxy)ethyl]prop-2-enamide
CID 160653023
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
CID 23525810
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 166176636
1-O-methyl 4-O-[2-(2-methylprop-2-enoylamino)ethyl] butanedioate
CID 88908253
N-(5-methoxypentyl)-2-methylprop-2-enamide
CID 137383659
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium (CID 154599046) is 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium is C=C(C)C(=O)NCCO[P+](=O)[O-].
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium?
The InChIKey is BRNIIDCZWCCOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO4P/c1-5(2)6(8)7-3-4-11-12(9)10/h1,3-4H2,2H3,(H,7,8).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium?
2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium has a molecular weight of 191.12 g/mol, XLogP of -0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethoxy-oxido-oxophosphanium is sourced from PubChem (CID 154599046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).