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

C9H13NO2 — CID 87899384

IUPAC2-[bis(ethenyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C=C)C=C
InChIInChI=1S/C9H13NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4-6H,1-3,7-8H2
InChIKeyRVDUMFOQTQBFBH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.30
Rot. Bonds6

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

2-[bis(ethenyl)amino]ethyl prop-2-enoate (PubChem CID 87899384) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[bis(ethenyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[bis(ethenyl)amino]ethyl prop-2-enoate
PubChem CID87899384
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-[bis(ethenyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(C=C)C=C
InChIInChI=1S/C9H13NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4-6H,1-3,7-8H2
InChIKeyRVDUMFOQTQBFBH-UHFFFAOYSA-N
XLogP1.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[bis(methylamino)amino]ethyl prop-2-enoate
CID 150657470
2-[bis(2-prop-2-enoxyethyl)amino]ethyl prop-2-enoate
CID 140686718
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-chloroethyl prop-2-enoate
CID 16627
2-(dicyclopentylamino)ethyl prop-2-enoate
CID 176910236
2-[acetyl(propyl)amino]ethyl prop-2-enoate
CID 118477118
CID 174984966
CID 174984966

Frequently Asked Questions

What is the IUPAC name of 2-[bis(ethenyl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[bis(ethenyl)amino]ethyl prop-2-enoate (CID 87899384) is 2-[bis(ethenyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[bis(ethenyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[bis(ethenyl)amino]ethyl prop-2-enoate is C=CC(=O)OCCN(C=C)C=C.
What is the InChIKey of 2-[bis(ethenyl)amino]ethyl prop-2-enoate?
The InChIKey is RVDUMFOQTQBFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-9(11)12-8-7-10(5-2)6-3/h4-6H,1-3,7-8H2.
What are the key properties of 2-[bis(ethenyl)amino]ethyl prop-2-enoate?
2-[bis(ethenyl)amino]ethyl prop-2-enoate has a molecular weight of 167.21 g/mol, XLogP of 1.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(ethenyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 87899384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).