ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate

C8H11NO3 — CID 71619731

IUPACethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate
SMILESC=CC(=O)N/C=C\C(=O)OCC
InChIInChI=1S/C8H11NO3/c1-3-7(10)9-6-5-8(11)12-4-2/h3,5-6H,1,4H2,2H3,(H,9,10)/b6-5-
InChIKeyVNTIRFFSRWBICU-WAYWQWQTSA-N
MW169.18 g/mol
LogP0.37
Rot. Bonds4

About ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate

ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate (PubChem CID 71619731) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate
PubChem CID71619731
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Nameethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate
SMILESC=CC(=O)N/C=C\C(=O)OCC
InChIInChI=1S/C8H11NO3/c1-3-7(10)9-6-5-8(11)12-4-2/h3,5-6H,1,4H2,2H3,(H,9,10)/b6-5-
InChIKeyVNTIRFFSRWBICU-WAYWQWQTSA-N
XLogP0.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[2-(prop-2-enoylamino)ethenyl]carbamate
CID 54134770
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;sulfane
CID 157093783
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
1-O-ethyl 4-O-[4-(prop-2-enoylamino)butyl] (E)-but-2-enedioate
CID 145264557
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
CID 143226823
ethyl 3-(ethoxyamino)prop-2-enoate;hydrochloride
CID 173062776
ethyl prop-2-enoate;methanesulfonic acid
CID 159762482

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate?
The IUPAC name of ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate (CID 71619731) is ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate is C=CC(=O)N/C=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate?
The InChIKey is VNTIRFFSRWBICU-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H11NO3/c1-3-7(10)9-6-5-8(11)12-4-2/h3,5-6H,1,4H2,2H3,(H,9,10)/b6-5-.
What are the key properties of ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate?
ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate has a molecular weight of 169.18 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(prop-2-enoylamino)prop-2-enoate is sourced from PubChem (CID 71619731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).