2-formamidoethyl prop-2-enoate

C6H9NO3 — CID 18401312

IUPAC2-formamidoethyl prop-2-enoate
SMILESC=CC(=O)OCCNC=O
InChIInChI=1S/C6H9NO3/c1-2-6(9)10-4-3-7-5-8/h2,5H,1,3-4H2,(H,7,8)
InChIKeyQPYIBQMRTUNZHZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.54
Rot. Bonds5

About 2-formamidoethyl prop-2-enoate

2-formamidoethyl prop-2-enoate (PubChem CID 18401312) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-formamidoethyl prop-2-enoate.

Molecular Properties

Compound Name2-formamidoethyl prop-2-enoate
PubChem CID18401312
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-formamidoethyl prop-2-enoate
SMILESC=CC(=O)OCCNC=O
InChIInChI=1S/C6H9NO3/c1-2-6(9)10-4-3-7-5-8/h2,5H,1,3-4H2,(H,7,8)
InChIKeyQPYIBQMRTUNZHZ-UHFFFAOYSA-N
XLogP-0.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-acetamidoethyl prop-2-enoate
CID 23089005
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
CID 140524543
2-[bis(prop-2-enyl)carbamoylamino]ethyl prop-2-enoate
CID 138533893
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232

Frequently Asked Questions

What is the IUPAC name of 2-formamidoethyl prop-2-enoate?
The IUPAC name of 2-formamidoethyl prop-2-enoate (CID 18401312) is 2-formamidoethyl prop-2-enoate.
What is the SMILES notation for 2-formamidoethyl prop-2-enoate?
The canonical SMILES for 2-formamidoethyl prop-2-enoate is C=CC(=O)OCCNC=O.
What is the InChIKey of 2-formamidoethyl prop-2-enoate?
The InChIKey is QPYIBQMRTUNZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-6(9)10-4-3-7-5-8/h2,5H,1,3-4H2,(H,7,8).
What are the key properties of 2-formamidoethyl prop-2-enoate?
2-formamidoethyl prop-2-enoate has a molecular weight of 143.14 g/mol, XLogP of -0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidoethyl prop-2-enoate is sourced from PubChem (CID 18401312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).