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

C11H17NO3 — CID 174454118

IUPACprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
SMILESC=CC(=O)OC(=O)C(C)=CCCN(C)C
InChIInChI=1S/C11H17NO3/c1-5-10(13)15-11(14)9(2)7-6-8-12(3)4/h5,7H,1,6,8H2,2-4H3
InChIKeyRLXDSAMFLDZDQY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.14
Rot. Bonds5

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

prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate (PubChem CID 174454118) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate.

Molecular Properties

Compound Nameprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
PubChem CID174454118
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
SMILESC=CC(=O)OC(=O)C(C)=CCCN(C)C
InChIInChI=1S/C11H17NO3/c1-5-10(13)15-11(14)9(2)7-6-8-12(3)4/h5,7H,1,6,8H2,2-4H3
InChIKeyRLXDSAMFLDZDQY-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.14
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'}

Analyze prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylprop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate
CID 174390387
chloro 5-(dimethylamino)-2-methylpent-2-enoate
CID 141297065
(dipropylamino) 5-(dimethylamino)-2-methylpent-2-enoate
CID 174759101
chloromethyl 5-(dimethylamino)-2-methylpent-2-enoate;hydrochloride
CID 175387120
disodium;hydride;prop-2-enoyl 2-methylbut-2-enoate
CID 173200570
5-(dimethylamino)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 161495453
prop-2-enoyl 2-methyl-4-oxohexa-2,5-dienoate
CID 90905930
5-(dimethylamino)-2-methylpent-2-enamide;hydrochloride
CID 141073365
prop-2-enoyl 2,3-dimethylbut-2-enoate
CID 87154660
prop-2-enoyl 2-methylprop-2-enoate;zinc
CID 146295420
dimethylamino 2-methylpent-2-enoate;ethyl prop-2-enoate
CID 173160381
butane;prop-2-enoyl 2-methylprop-2-enoate
CID 174895083

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
The IUPAC name of prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate (CID 174454118) is prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate.
What is the SMILES notation for prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
The canonical SMILES for prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate is C=CC(=O)OC(=O)C(C)=CCCN(C)C.
What is the InChIKey of prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
The InChIKey is RLXDSAMFLDZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-5-10(13)15-11(14)9(2)7-6-8-12(3)4/h5,7H,1,6,8H2,2-4H3.
What are the key properties of prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate?
prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate has a molecular weight of 211.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 5-(dimethylamino)-2-methylpent-2-enoate is sourced from PubChem (CID 174454118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).