2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate

C12H19NO3 — CID 174390387

IUPAC2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CCCN(C)C
InChIInChI=1S/C12H19NO3/c1-9(2)11(14)16-12(15)10(3)7-6-8-13(4)5/h7H,1,6,8H2,2-5H3
InChIKeyKWWPYMQPRLGFBQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.53
Rot. Bonds5

About 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate

2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate (PubChem CID 174390387) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
PubChem CID174390387
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
SMILESC=C(C)C(=O)OC(=O)C(C)=CCCN(C)C
InChIInChI=1S/C12H19NO3/c1-9(2)11(14)16-12(15)10(3)7-6-8-13(4)5/h7H,1,6,8H2,2-5H3
InChIKeyKWWPYMQPRLGFBQ-UHFFFAOYSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
CID 174454118
chloro 5-(dimethylamino)-2-methylpent-2-enoate
CID 141297065
5-(dimethylamino)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 161495453
chloromethyl 5-(dimethylamino)-2-methylpent-2-enoate;hydrochloride
CID 175387120
(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
CID 174759101
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
6-(dimethylamino)-2-methylhex-2-enoic acid;3-(dimethylamino)propyl 2-methylprop-2-enoate
CID 158407090
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
[chloro(phenyl)methyl] 5-(dimethylamino)-2-methylpent-2-enoate;tetrahydrate
CID 175016372
2-methylprop-2-enoyl 2,4-dimethylhex-2-enoate
CID 174410729

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
The IUPAC name of 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate (CID 174390387) is 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
The canonical SMILES for 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate is C=C(C)C(=O)OC(=O)C(C)=CCCN(C)C.
What is the InChIKey of 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
The InChIKey is KWWPYMQPRLGFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)11(14)16-12(15)10(3)7-6-8-13(4)5/h7H,1,6,8H2,2-5H3.
What are the key properties of 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate has a molecular weight of 225.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 174390387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).