ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate

C11H17NO2 — CID 87228347

IUPACethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
SMILESC=CCN(CC=C)C(=C)C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-5-8-12(9-6-2)10(4)11(13)14-7-3/h5-6H,1-2,4,7-9H2,3H3
InChIKeyVDBPXFMTJBVYKM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.74
Rot. Bonds7

About ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate

ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate (PubChem CID 87228347) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
PubChem CID87228347
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
SMILESC=CCN(CC=C)C(=C)C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-5-8-12(9-6-2)10(4)11(13)14-7-3/h5-6H,1-2,4,7-9H2,3H3
InChIKeyVDBPXFMTJBVYKM-UHFFFAOYSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethoxyethane;ethyl 2-(dimethylamino)prop-2-enoate;prop-2-enoic acid
CID 175987260
ethyl N-(3-oxopropyl)-N-prop-2-enylcarbamate
CID 163829772
ethyl 2-methylidenehex-5-enoate
CID 10855685
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethyl N-fluoro-N-prop-2-enylcarbamate
CID 88867877
ethyl 2-[bis(prop-2-enyl)carbamothioylsulfanyl]acetate
CID 50941724
prop-2-enyl 2-[bis(prop-2-enyl)amino]-2-oxoacetate
CID 139567559
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate?
The IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate (CID 87228347) is ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate.
What is the SMILES notation for ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate?
The canonical SMILES for ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate is C=CCN(CC=C)C(=C)C(=O)OCC.
What is the InChIKey of ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate?
The InChIKey is VDBPXFMTJBVYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-5-8-12(9-6-2)10(4)11(13)14-7-3/h5-6H,1-2,4,7-9H2,3H3.
What are the key properties of ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate?
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate has a molecular weight of 195.26 g/mol, XLogP of 1.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate is sourced from PubChem (CID 87228347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).