5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide

C13H24N2O3 — CID 173365859

IUPAC5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide
SMILESC=CC(N)=O.CCN(CC)CCC=C(C)C(=O)O
InChIInChI=1S/C10H19NO2.C3H5NO/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-2-3(4)5/h7H,4-6,8H2,1-3H3,(H,12,13);2H,1H2,(H2,4,5)
InChIKeyUKABTGXWEGWQRA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.41
Rot. Bonds7

About 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide

5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide (PubChem CID 173365859) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide.

Molecular Properties

Compound Name5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide
PubChem CID173365859
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide
SMILESC=CC(N)=O.CCN(CC)CCC=C(C)C(=O)O
InChIInChI=1S/C10H19NO2.C3H5NO/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-2-3(4)5/h7H,4-6,8H2,1-3H3,(H,12,13);2H,1H2,(H2,4,5)
InChIKeyUKABTGXWEGWQRA-UHFFFAOYSA-N
XLogP1.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide?
The IUPAC name of 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide (CID 173365859) is 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide.
What is the SMILES notation for 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide?
The canonical SMILES for 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide is C=CC(N)=O.CCN(CC)CCC=C(C)C(=O)O.
What is the InChIKey of 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide?
The InChIKey is UKABTGXWEGWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C3H5NO/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-2-3(4)5/h7H,4-6,8H2,1-3H3,(H,12,13);2H,1H2,(H2,4,5).
What are the key properties of 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide?
5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide has a molecular weight of 256.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide is sourced from PubChem (CID 173365859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).