ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate

C14H17NO2 — CID 154708786

IUPACethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/N1CCCc2ccccc21
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)9-11-15-10-5-7-12-6-3-4-8-13(12)15/h3-4,6,8-9,11H,2,5,7,10H2,1H3/b11-9+
InChIKeyHGJZDQRHTNSBJX-PKNBQFBNSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds3

About ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate

ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate (PubChem CID 154708786) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
PubChem CID154708786
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Nameethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/N1CCCc2ccccc21
InChIInChI=1S/C14H17NO2/c1-2-17-14(16)9-11-15-10-5-7-12-6-3-4-8-13(12)15/h3-4,6,8-9,11H,2,5,7,10H2,1H3/b11-9+
InChIKeyHGJZDQRHTNSBJX-PKNBQFBNSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate (CID 154708786) is ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate is CCOC(=O)/C=C/N1CCCc2ccccc21.
What is the InChIKey of ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate?
The InChIKey is HGJZDQRHTNSBJX-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-17-14(16)9-11-15-10-5-7-12-6-3-4-8-13(12)15/h3-4,6,8-9,11H,2,5,7,10H2,1H3/b11-9+.
What are the key properties of ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate?
ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate has a molecular weight of 231.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3,4-dihydro-2H-quinolin-1-yl)prop-2-enoate is sourced from PubChem (CID 154708786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).