[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate

C15H19NO2 — CID 57228939

IUPAC[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C=Cc1ccccc1)N(C)C
InChIInChI=1S/C15H19NO2/c1-12(2)15(17)18-14(16(3)4)11-10-13-8-6-5-7-9-13/h5-11,14H,1H2,2-4H3
InChIKeyMQVDTNIRPWUXFK-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.71
Rot. Bonds5

About [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate

[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate (PubChem CID 57228939) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
PubChem CID57228939
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C=Cc1ccccc1)N(C)C
InChIInChI=1S/C15H19NO2/c1-12(2)15(17)18-14(16(3)4)11-10-13-8-6-5-7-9-13/h5-11,14H,1H2,2-4H3
InChIKeyMQVDTNIRPWUXFK-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-1-phenylpent-1-en-3-yl) 2-methylprop-2-enoate
CID 68791034
[(E)-4,4-dimethyl-1-phenylpent-1-en-3-yl] 2-methylprop-2-enoate
CID 167189015
[(E)-3-oxo-5-phenylpent-4-en-2-yl] 2-methylprop-2-enoate
CID 21195052
(2-hydroxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 54174138
[4-(2-methylprop-2-enoyloxy)-6-phenylhex-5-enyl] 2-methylprop-2-enoate
CID 70229754
(2-phenoxy-4-phenylbut-3-enyl) 2-methylprop-2-enoate
CID 175194257
[4-(2-phenylethenyl)phenyl] 2-methylprop-2-enoate
CID 54432121
2-methylprop-2-enoic acid;[(E)-2-phenylethenyl] 2-methylprop-2-enoate
CID 138598568
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
[(E,1S)-1-[[(E,1S)-1-acetyloxy-3-phenylprop-2-enyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate
CID 15447341
[3-(2-methylprop-2-enoyloxy)-5-[(E)-2-phenylethenyl]phenyl] 2-methylprop-2-enoate
CID 155004792
methyl 2-methylidene-4-phenylbut-3-enoate;methyl 2-methylprop-2-enoate
CID 87484967

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate?
The IUPAC name of [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate (CID 57228939) is [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate.
What is the SMILES notation for [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate?
The canonical SMILES for [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(C=Cc1ccccc1)N(C)C.
What is the InChIKey of [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate?
The InChIKey is MQVDTNIRPWUXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-12(2)15(17)18-14(16(3)4)11-10-13-8-6-5-7-9-13/h5-11,14H,1H2,2-4H3.
What are the key properties of [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate?
[1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate has a molecular weight of 245.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-phenylprop-2-enyl] 2-methylprop-2-enoate is sourced from PubChem (CID 57228939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).