2-(prop-2-enoylamino)ethyl acetate

C7H11NO3 — CID 22472459

IUPAC2-(prop-2-enoylamino)ethyl acetate
SMILESC=CC(=O)NCCOC(C)=O
InChIInChI=1S/C7H11NO3/c1-3-7(10)8-4-5-11-6(2)9/h3H,1,4-5H2,2H3,(H,8,10)
InChIKeyWSRRFFGNMYZYCW-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds4

About 2-(prop-2-enoylamino)ethyl acetate

2-(prop-2-enoylamino)ethyl acetate (PubChem CID 22472459) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl acetate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl acetate
PubChem CID22472459
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(prop-2-enoylamino)ethyl acetate
SMILESC=CC(=O)NCCOC(C)=O
InChIInChI=1S/C7H11NO3/c1-3-7(10)8-4-5-11-6(2)9/h3H,1,4-5H2,2H3,(H,8,10)
InChIKeyWSRRFFGNMYZYCW-UHFFFAOYSA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
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'}

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Related Compounds

N-(2,2-Dimethoxyethyl)-2-propenamide
CID 9898899
Crotonylglycine, methyl ester
CID 6211680
Acrylylglycine, methyl ester
CID 6429410
N-acryloyloxyethylacrylamide
CID 15084870
N-acryloyl-l-alanine methyl ester
CID 11564512
2-Propenamide, N-(2-ethoxyethyl)-
CID 11955395
N-(2-methoxyethyl)acrylamide
CID 11976962
Acrylic acid beta-vinyloxyethylamide
CID 14946261
N-acryloylglycine ethyl ester
CID 21721258
2-Acetamidoethyl prop-2-enoate
CID 23089005
Methyl 2-(prop-2-enoylamino)propanoate
CID 60780322
N-[2-(2-methoxyethoxy)ethyl]acrylamide
CID 61849582

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl acetate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl acetate (CID 22472459) is 2-(prop-2-enoylamino)ethyl acetate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl acetate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl acetate is C=CC(=O)NCCOC(C)=O.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl acetate?
The InChIKey is WSRRFFGNMYZYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-7(10)8-4-5-11-6(2)9/h3H,1,4-5H2,2H3,(H,8,10).
What are the key properties of 2-(prop-2-enoylamino)ethyl acetate?
2-(prop-2-enoylamino)ethyl acetate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl acetate is sourced from PubChem (CID 22472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).