ethyl 5-(diethylamino)-2-methylpent-2-enoate

C12H23NO2 — CID 175173759

IUPACethyl 5-(diethylamino)-2-methylpent-2-enoate
SMILESCCOC(=O)C(C)=CCCN(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-13(6-2)10-8-9-11(4)12(14)15-7-3/h9H,5-8,10H2,1-4H3
InChIKeyYNAJTBSSLZIEPL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.23
Rot. Bonds7

About ethyl 5-(diethylamino)-2-methylpent-2-enoate

ethyl 5-(diethylamino)-2-methylpent-2-enoate (PubChem CID 175173759) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 5-(diethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl 5-(diethylamino)-2-methylpent-2-enoate
PubChem CID175173759
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 5-(diethylamino)-2-methylpent-2-enoate
SMILESCCOC(=O)C(C)=CCCN(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-13(6-2)10-8-9-11(4)12(14)15-7-3/h9H,5-8,10H2,1-4H3
InChIKeyYNAJTBSSLZIEPL-UHFFFAOYSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.23
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

(E)-5-(diethylamino)-2-methylpent-2-enoate
CID 23330271
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
ethyl (E)-2-methylpent-2-enoate
CID 6436311
(E)-6-ethoxy-5-methyl-6-oxohex-4-enoic acid
CID 10679113
ethyl 7-hydroxy-2-methylhept-2-enoate
CID 71403873
ethyl (2E,6E)-2-methylnona-2,6,8-trienoate
CID 121011466
5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide
CID 173365859
ethyl (2E,7E)-2-methyldeca-2,7,9-trienoate
CID 10035972
2-(diethylamino)ethyl 2-methylhexa-2,5-dienoate
CID 173337637
diethyl 2-methylpent-2-enedioate
CID 592902
N,N-diethyl-4-methylpent-3-en-1-amine
CID 12610282
2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid
CID 175959487

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(diethylamino)-2-methylpent-2-enoate?
The IUPAC name of ethyl 5-(diethylamino)-2-methylpent-2-enoate (CID 175173759) is ethyl 5-(diethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for ethyl 5-(diethylamino)-2-methylpent-2-enoate?
The canonical SMILES for ethyl 5-(diethylamino)-2-methylpent-2-enoate is CCOC(=O)C(C)=CCCN(CC)CC.
What is the InChIKey of ethyl 5-(diethylamino)-2-methylpent-2-enoate?
The InChIKey is YNAJTBSSLZIEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-13(6-2)10-8-9-11(4)12(14)15-7-3/h9H,5-8,10H2,1-4H3.
What are the key properties of ethyl 5-(diethylamino)-2-methylpent-2-enoate?
ethyl 5-(diethylamino)-2-methylpent-2-enoate has a molecular weight of 213.32 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(diethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 175173759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).