2-(nona-3,7-dienylamino)ethyl prop-2-enoate

C14H23NO2 — CID 173005917

IUPAC2-(nona-3,7-dienylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCC=CCCC=CC
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-8-9-10-11-15-12-13-17-14(16)4-2/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKeyITYBQMZJKXURGO-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.61
Rot. Bonds10

About 2-(nona-3,7-dienylamino)ethyl prop-2-enoate

2-(nona-3,7-dienylamino)ethyl prop-2-enoate (PubChem CID 173005917) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(nona-3,7-dienylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(nona-3,7-dienylamino)ethyl prop-2-enoate
PubChem CID173005917
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(nona-3,7-dienylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCC=CCCC=CC
InChIInChI=1S/C14H23NO2/c1-3-5-6-7-8-9-10-11-15-12-13-17-14(16)4-2/h3-5,8-9,15H,2,6-7,10-13H2,1H3
InChIKeyITYBQMZJKXURGO-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
2-acetamidoethyl prop-2-enoate
CID 23089005
2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate
CID 23453492
but-2-enyl prop-2-enoate;ethene;prop-2-enoic acid
CID 174361149
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
CID 140524543
2-formamidoethyl prop-2-enoate
CID 18401312
buta-1,3-diene;but-2-enyl prop-2-enoate;prop-2-enoic acid
CID 175280821
N-[2-[[(E)-pent-3-enyl]amino]ethyl]acetamide
CID 107529943
2-[[(Z)-octadec-9-enoyl]amino]ethyl prop-2-enoate
CID 134514748
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
methyl 3-prop-2-enoyloxypropanoate
CID 14496497

Frequently Asked Questions

What is the IUPAC name of 2-(nona-3,7-dienylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(nona-3,7-dienylamino)ethyl prop-2-enoate (CID 173005917) is 2-(nona-3,7-dienylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(nona-3,7-dienylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(nona-3,7-dienylamino)ethyl prop-2-enoate is C=CC(=O)OCCNCCC=CCCC=CC.
What is the InChIKey of 2-(nona-3,7-dienylamino)ethyl prop-2-enoate?
The InChIKey is ITYBQMZJKXURGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-5-6-7-8-9-10-11-15-12-13-17-14(16)4-2/h3-5,8-9,15H,2,6-7,10-13H2,1H3.
What are the key properties of 2-(nona-3,7-dienylamino)ethyl prop-2-enoate?
2-(nona-3,7-dienylamino)ethyl prop-2-enoate has a molecular weight of 237.34 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nona-3,7-dienylamino)ethyl prop-2-enoate is sourced from PubChem (CID 173005917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).