propyl 3-(dimethylamino)-4-methylpent-2-enoate

C11H21NO2 — CID 175454599

IUPACpropyl 3-(dimethylamino)-4-methylpent-2-enoate
SMILESCCCOC(=O)C=C(C(C)C)N(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-14-11(13)8-10(9(2)3)12(4)5/h8-9H,6-7H2,1-5H3
InChIKeyPRZSWLKHDQOJSL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.04
Rot. Bonds5

About propyl 3-(dimethylamino)-4-methylpent-2-enoate

propyl 3-(dimethylamino)-4-methylpent-2-enoate (PubChem CID 175454599) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl 3-(dimethylamino)-4-methylpent-2-enoate.

Molecular Properties

Compound Namepropyl 3-(dimethylamino)-4-methylpent-2-enoate
PubChem CID175454599
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl 3-(dimethylamino)-4-methylpent-2-enoate
SMILESCCCOC(=O)C=C(C(C)C)N(C)C
InChIInChI=1S/C11H21NO2/c1-6-7-14-11(13)8-10(9(2)3)12(4)5/h8-9H,6-7H2,1-5H3
InChIKeyPRZSWLKHDQOJSL-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.04
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

(Z)-2-methyl-4-oxo-4-propoxybut-2-enoic acid
CID 87197934
N,N-di(propan-2-yl)propan-2-amine;propyl prop-2-enoate
CID 146373089
dipropyl (Z)-2-iodobut-2-enedioate
CID 5359092
ethyl 3-hydroxy-4-methylpent-2-enoate
CID 71406966
propyl (Z)-3-amino-4-methoxybut-2-enoate
CID 88823275
1-O-methyl 4-O-propyl 2-methylbut-2-enedioate
CID 175490226
dibutyl (Z)-2-(2-methylpropyl)but-2-enedioate
CID 87865654
propyl 3-aminoprop-2-enoate
CID 154061664
2-methylpropanoic acid;propyl hydrogen carbonate
CID 174790035
propyl (E)-3-nitrobut-2-enoate
CID 71606784
N-propan-2-ylpropan-2-amine;propyl prop-2-enoate
CID 175325942
propan-2-yl prop-2-enoate;propyl prop-2-enoate
CID 19001097

Frequently Asked Questions

What is the IUPAC name of propyl 3-(dimethylamino)-4-methylpent-2-enoate?
The IUPAC name of propyl 3-(dimethylamino)-4-methylpent-2-enoate (CID 175454599) is propyl 3-(dimethylamino)-4-methylpent-2-enoate.
What is the SMILES notation for propyl 3-(dimethylamino)-4-methylpent-2-enoate?
The canonical SMILES for propyl 3-(dimethylamino)-4-methylpent-2-enoate is CCCOC(=O)C=C(C(C)C)N(C)C.
What is the InChIKey of propyl 3-(dimethylamino)-4-methylpent-2-enoate?
The InChIKey is PRZSWLKHDQOJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-7-14-11(13)8-10(9(2)3)12(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of propyl 3-(dimethylamino)-4-methylpent-2-enoate?
propyl 3-(dimethylamino)-4-methylpent-2-enoate has a molecular weight of 199.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(dimethylamino)-4-methylpent-2-enoate is sourced from PubChem (CID 175454599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).