ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate

C15H15NO2 — CID 169480916

IUPACethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(N)c2ccccc12
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)10-8-11-7-9-14(16)13-6-4-3-5-12(11)13/h3-10H,2,16H2,1H3
InChIKeyQTRPNEVBBFYVGQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.00
Rot. Bonds3

About ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate

ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate (PubChem CID 169480916) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
PubChem CID169480916
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Nameethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(N)c2ccccc12
InChIInChI=1S/C15H15NO2/c1-2-18-15(17)10-8-11-7-9-14(16)13-6-4-3-5-12(11)13/h3-10H,2,16H2,1H3
InChIKeyQTRPNEVBBFYVGQ-UHFFFAOYSA-N
XLogP3.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-[3-amino-4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]prop-2-enoate
CID 2749811
ethyl (E)-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 67918737
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-oxo-1H-pyridin-3-yl)prop-2-enoate
CID 169480024
ethyl (E)-3-(3-hydroxy-2-methoxyphenyl)prop-2-enoate
CID 56950643
ethyl 3-(2-amino-4-fluorophenyl)prop-2-enoate
CID 169480131
ethyl 3-(4-hydroxy-2,3-dimethoxyphenyl)prop-2-enoate
CID 174504187
ethyl 3-(2-amino-4-nitrophenyl)prop-2-enoate
CID 169480615
2-amino-3-(3-ethoxy-3-oxoprop-1-enyl)benzoic acid
CID 169480669

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate?
The IUPAC name of ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate (CID 169480916) is ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate?
The canonical SMILES for ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate is CCOC(=O)C=Cc1ccc(N)c2ccccc12.
What is the InChIKey of ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate?
The InChIKey is QTRPNEVBBFYVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-2-18-15(17)10-8-11-7-9-14(16)13-6-4-3-5-12(11)13/h3-10H,2,16H2,1H3.
What are the key properties of ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate?
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate is sourced from PubChem (CID 169480916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).