4-(dimethylamino)but-3-enyl prop-2-enoate

C9H15NO2 — CID 141108396

IUPAC4-(dimethylamino)but-3-enyl prop-2-enoate
SMILESC=CC(=O)OCCC=CN(C)C
InChIInChI=1S/C9H15NO2/c1-4-9(11)12-8-6-5-7-10(2)3/h4-5,7H,1,6,8H2,2-3H3
InChIKeyXBWIUFFBDSYVGM-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.18
Rot. Bonds5

About 4-(dimethylamino)but-3-enyl prop-2-enoate

4-(dimethylamino)but-3-enyl prop-2-enoate (PubChem CID 141108396) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(dimethylamino)but-3-enyl prop-2-enoate.

Molecular Properties

Compound Name4-(dimethylamino)but-3-enyl prop-2-enoate
PubChem CID141108396
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-(dimethylamino)but-3-enyl prop-2-enoate
SMILESC=CC(=O)OCCC=CN(C)C
InChIInChI=1S/C9H15NO2/c1-4-9(11)12-8-6-5-7-10(2)3/h4-5,7H,1,6,8H2,2-3H3
InChIKeyXBWIUFFBDSYVGM-UHFFFAOYSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylpent-1-en-1-amine;prop-2-enamide
CID 175286985
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine
CID 172733974
2-aminoethyl prop-2-enoate;N,N-dimethylmethanamine;hydroiodide
CID 175248115
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
tris(methyl(2-prop-2-enoyloxyethyl)azanium);trichloride
CID 140990808
CID 174984966
CID 174984966
[(E)-20-prop-2-enoyloxyicos-10-enyl] prop-2-enoate
CID 101145209
bromoethane;2-(dimethylamino)ethyl prop-2-enoate
CID 174957893
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)but-3-enyl prop-2-enoate?
The IUPAC name of 4-(dimethylamino)but-3-enyl prop-2-enoate (CID 141108396) is 4-(dimethylamino)but-3-enyl prop-2-enoate.
What is the SMILES notation for 4-(dimethylamino)but-3-enyl prop-2-enoate?
The canonical SMILES for 4-(dimethylamino)but-3-enyl prop-2-enoate is C=CC(=O)OCCC=CN(C)C.
What is the InChIKey of 4-(dimethylamino)but-3-enyl prop-2-enoate?
The InChIKey is XBWIUFFBDSYVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-9(11)12-8-6-5-7-10(2)3/h4-5,7H,1,6,8H2,2-3H3.
What are the key properties of 4-(dimethylamino)but-3-enyl prop-2-enoate?
4-(dimethylamino)but-3-enyl prop-2-enoate has a molecular weight of 169.22 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)but-3-enyl prop-2-enoate is sourced from PubChem (CID 141108396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).