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

C10H18NO2- — CID 23330271

IUPAC(E)-5-(diethylamino)-2-methylpent-2-enoate
SMILESCCN(CC)CC/C=C(\C)C(=O)[O-]
InChIInChI=1S/C10H19NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h7H,4-6,8H2,1-3H3,(H,12,13)/p-1/b9-7+
InChIKeyNVVDPSZOAIMZLZ-VQHVLOKHSA-M
MW184.26 g/mol
LogP0.41
Rot. Bonds6

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

(E)-5-(diethylamino)-2-methylpent-2-enoate (PubChem CID 23330271) has the molecular formula C10H18NO2- and a molecular weight of 184.26 g/mol. Its IUPAC name is (E)-5-(diethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Name(E)-5-(diethylamino)-2-methylpent-2-enoate
PubChem CID23330271
Molecular FormulaC10H18NO2-
Molecular Weight184.26 g/mol
Exact Mass184.13
IUPAC Name(E)-5-(diethylamino)-2-methylpent-2-enoate
SMILESCCN(CC)CC/C=C(\C)C(=O)[O-]
InChIInChI=1S/C10H19NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h7H,4-6,8H2,1-3H3,(H,12,13)/p-1/b9-7+
InChIKeyNVVDPSZOAIMZLZ-VQHVLOKHSA-M
XLogP0.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.41
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

ethyl 5-(diethylamino)-2-methylpent-2-enoate
CID 175173759
N,N-diethyl-4-methylpent-3-en-1-amine
CID 12610282
5-(diethylamino)-2-methylpent-2-enoic acid;prop-2-enamide
CID 173365859
(E)-2-methylpent-2-enoate
CID 7006461
cadmium(2+);2-(diethylamino)ethanethiol;diacetate
CID 157171436
2-(diethylamino)ethyl prop-2-enoate;5-(diethylamino)-2-methylpent-2-enoic acid
CID 175959487
N,N-diethylethanamine;methanol;acetate
CID 19101833
(E)-2-methyl-6-(propylamino)hex-2-enoate
CID 23065085
(2E,5E,8E)-2,9-dimethyldeca-2,5,8-trienedioate
CID 22792936
potassium (E)-2-methyl-6-sulfohex-2-enoate
CID 87119545
N,N-diethylethanamine;2-methylprop-2-enoate;acetate
CID 23047096
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729

Frequently Asked Questions

What is the IUPAC name of (E)-5-(diethylamino)-2-methylpent-2-enoate?
The IUPAC name of (E)-5-(diethylamino)-2-methylpent-2-enoate (CID 23330271) is (E)-5-(diethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for (E)-5-(diethylamino)-2-methylpent-2-enoate?
The canonical SMILES for (E)-5-(diethylamino)-2-methylpent-2-enoate is CCN(CC)CC/C=C(\C)C(=O)[O-].
What is the InChIKey of (E)-5-(diethylamino)-2-methylpent-2-enoate?
The InChIKey is NVVDPSZOAIMZLZ-VQHVLOKHSA-M. The full InChI is InChI=1S/C10H19NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h7H,4-6,8H2,1-3H3,(H,12,13)/p-1/b9-7+.
What are the key properties of (E)-5-(diethylamino)-2-methylpent-2-enoate?
(E)-5-(diethylamino)-2-methylpent-2-enoate has a molecular weight of 184.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(diethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 23330271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).