[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate

C14H21NO3 — CID 145491478

IUPAC[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate
SMILESC=CCN(CC=C)C(=O)C/C=C\COC(=O)CC
InChIInChI=1S/C14H21NO3/c1-4-10-15(11-5-2)13(16)9-7-8-12-18-14(17)6-3/h4-5,7-8H,1-2,6,9-12H2,3H3/b8-7-
InChIKeyIHMYWQZQIVYROZ-FPLPWBNLSA-N
MW251.33 g/mol
LogP2.09
Rot. Bonds9

About [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate

[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate (PubChem CID 145491478) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate.

Molecular Properties

Compound Name[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate
PubChem CID145491478
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate
SMILESC=CCN(CC=C)C(=O)C/C=C\COC(=O)CC
InChIInChI=1S/C14H21NO3/c1-4-10-15(11-5-2)13(16)9-7-8-12-18-14(17)6-3/h4-5,7-8H,1-2,6,9-12H2,3H3/b8-7-
InChIKeyIHMYWQZQIVYROZ-FPLPWBNLSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;prop-2-enyl propanoate
CID 87729437
propan-2-one;prop-2-enyl propanoate
CID 174904905
chloromethane;prop-2-enyl propanoate
CID 174815872
penta-2,4-dienyl propanoate
CID 54073728
(Z)-N,N-bis(prop-2-enyl)hex-3-enamide;ethane;ethanone;propane;uranium(2+)
CID 145491424
[(2E,4E)-4-methylhexa-2,4-dienyl] propanoate
CID 15624868
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
hex-2-enyl hex-3-enoate
CID 71346528
[(E)-3-triethoxysilylprop-2-enyl] propanoate
CID 101209443
2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954660

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate?
The IUPAC name of [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate (CID 145491478) is [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate.
What is the SMILES notation for [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate?
The canonical SMILES for [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate is C=CCN(CC=C)C(=O)C/C=C\COC(=O)CC.
What is the InChIKey of [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate?
The InChIKey is IHMYWQZQIVYROZ-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-15(11-5-2)13(16)9-7-8-12-18-14(17)6-3/h4-5,7-8H,1-2,6,9-12H2,3H3/b8-7-.
What are the key properties of [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate?
[(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-[bis(prop-2-enyl)amino]-5-oxopent-2-enyl] propanoate is sourced from PubChem (CID 145491478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).