2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate

C9H11NO4 — CID 19774716

IUPAC2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate
SMILESC#CCOC(=O)OCCNC(=O)C=C
InChIInChI=1S/C9H11NO4/c1-3-6-13-9(12)14-7-5-10-8(11)4-2/h1,4H,2,5-7H2,(H,10,11)
InChIKeyMZMUYAQOGHWVDM-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.08
Rot. Bonds5

About 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate

2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate (PubChem CID 19774716) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate
PubChem CID19774716
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate
SMILESC#CCOC(=O)OCCNC(=O)C=C
InChIInChI=1S/C9H11NO4/c1-3-6-13-9(12)14-7-5-10-8(11)4-2/h1,4H,2,5-7H2,(H,10,11)
InChIKeyMZMUYAQOGHWVDM-UHFFFAOYSA-N
XLogP0.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.08
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-bisacryloyl-2,2-di-(2-aminoethoxy)propane
CID 15608862
2-(2-Methylprop-2-enoylamino)ethyl prop-2-ynyl carbonate
CID 19774710
1-(Prop-2-enoylamino)ethyl prop-2-ynyl carbonate
CID 23169804
N-[2-[2-(prop-2-enoylamino)ethoxymethoxy]ethyl]prop-2-enamide
CID 54150359
N-[2-[bis[2-(prop-2-enoylamino)ethoxy]methoxy]ethyl]prop-2-enamide
CID 59016879
N-(2,2,2-trimethoxyethyl)prop-2-enamide
CID 88526215
N-[2-[bis(2-acetamidoethoxy)methoxy]ethyl]prop-2-enamide
CID 140637156
N-[2-(methoxymethoxy)ethyl]prop-2-enamide
CID 142726878
Ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
2-(Prop-2-enoylamino)ethyl hydrogen carbonate
CID 156302380
2-Acrylamidoethyl tert-butyl carbonate
CID 85834218

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate (CID 19774716) is 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate is C#CCOC(=O)OCCNC(=O)C=C.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate?
The InChIKey is MZMUYAQOGHWVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-3-6-13-9(12)14-7-5-10-8(11)4-2/h1,4H,2,5-7H2,(H,10,11).
What are the key properties of 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate?
2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate has a molecular weight of 197.19 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl prop-2-ynyl carbonate is sourced from PubChem (CID 19774716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).