methyl 5-[benzyl(methyl)amino]pent-2-enoate

C14H19NO2 — CID 59035143

IUPACmethyl 5-[benzyl(methyl)amino]pent-2-enoate
SMILESCOC(=O)C=CCCN(C)Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-15(11-7-6-10-14(16)17-2)12-13-8-4-3-5-9-13/h3-6,8-10H,7,11-12H2,1-2H3
InChIKeyUCEWMHUUCLJDAC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.24
Rot. Bonds6

About methyl 5-[benzyl(methyl)amino]pent-2-enoate

methyl 5-[benzyl(methyl)amino]pent-2-enoate (PubChem CID 59035143) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 5-[benzyl(methyl)amino]pent-2-enoate.

Molecular Properties

Compound Namemethyl 5-[benzyl(methyl)amino]pent-2-enoate
PubChem CID59035143
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 5-[benzyl(methyl)amino]pent-2-enoate
SMILESCOC(=O)C=CCCN(C)Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-15(11-7-6-10-14(16)17-2)12-13-8-4-3-5-9-13/h3-6,8-10H,7,11-12H2,1-2H3
InChIKeyUCEWMHUUCLJDAC-UHFFFAOYSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.24
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

methyl (E)-3-(dibenzylamino)prop-2-enoate
CID 5382919
methyl (E)-5-(benzylamino)pent-2-enoate
CID 11085308
methyl (Z)-5-(dimethylamino)pent-2-enoate
CID 117272420
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
methyl (2Z,6E)-10-phenylmethoxydeca-2,6-dienoate
CID 10827220
methyl (E)-5-phenylsulfanylpent-2-enoate
CID 15864765
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
methyl (E)-2-[[benzyl(methyl)amino]methyl]but-2-enoate
CID 10799648
2-[benzyl(methyl)amino]ethyl 3-phenylprop-2-enoate
CID 2908391
methyl 7-(phenylmethoxycarbonylamino)hept-2-enoate
CID 167312497
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
CID 8900979

Frequently Asked Questions

What is the IUPAC name of methyl 5-[benzyl(methyl)amino]pent-2-enoate?
The IUPAC name of methyl 5-[benzyl(methyl)amino]pent-2-enoate (CID 59035143) is methyl 5-[benzyl(methyl)amino]pent-2-enoate.
What is the SMILES notation for methyl 5-[benzyl(methyl)amino]pent-2-enoate?
The canonical SMILES for methyl 5-[benzyl(methyl)amino]pent-2-enoate is COC(=O)C=CCCN(C)Cc1ccccc1.
What is the InChIKey of methyl 5-[benzyl(methyl)amino]pent-2-enoate?
The InChIKey is UCEWMHUUCLJDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15(11-7-6-10-14(16)17-2)12-13-8-4-3-5-9-13/h3-6,8-10H,7,11-12H2,1-2H3.
What are the key properties of methyl 5-[benzyl(methyl)amino]pent-2-enoate?
methyl 5-[benzyl(methyl)amino]pent-2-enoate has a molecular weight of 233.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[benzyl(methyl)amino]pent-2-enoate is sourced from PubChem (CID 59035143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).