ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate

C15H19NO2 — CID 169480918

IUPACethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)9-8-13-6-5-7-14(12-13)16-10-3-4-11-16/h5-9,12H,2-4,10-11H2,1H3
InChIKeySOGJPHRBFWGWAQ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.86
Rot. Bonds4

About ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate

ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate (PubChem CID 169480918) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
PubChem CID169480918
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1cccc(N2CCCC2)c1
InChIInChI=1S/C15H19NO2/c1-2-18-15(17)9-8-13-6-5-7-14(12-13)16-10-3-4-11-16/h5-9,12H,2-4,10-11H2,1H3
InChIKeySOGJPHRBFWGWAQ-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.86
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

ethyl 3-(3-piperidin-1-ylphenyl)prop-2-enoate
CID 169480960
ethyl 3-[4-(azepan-1-yl)phenyl]prop-2-enoate
CID 66815552
ethyl 3-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoate
CID 54417365
ethyl (Z)-3-(3-bromophenyl)prop-2-enoate
CID 124561754
ethyl 3-(3-piperidin-1-ylsulfonylphenyl)prop-2-enoate
CID 77199749
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl (E)-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoate
CID 132557380
ethyl 3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 134129593
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl 3-(7-bromobiphenylen-2-yl)prop-2-enoate
CID 54346207

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate (CID 169480918) is ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate is CCOC(=O)C=Cc1cccc(N2CCCC2)c1.
What is the InChIKey of ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate?
The InChIKey is SOGJPHRBFWGWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-2-18-15(17)9-8-13-6-5-7-14(12-13)16-10-3-4-11-16/h5-9,12H,2-4,10-11H2,1H3.
What are the key properties of ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate?
ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate has a molecular weight of 245.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-pyrrolidin-1-ylphenyl)prop-2-enoate is sourced from PubChem (CID 169480918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).