2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate

C14H17NO2 — CID 106202755

IUPAC2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate
SMILESNc1cccc(/C=C/C(=O)OCCC2CC2)c1
InChIInChI=1S/C14H17NO2/c15-13-3-1-2-12(10-13)6-7-14(16)17-9-8-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9,15H2/b7-6+
InChIKeyXRRFKCLJCFPSRG-VOTSOKGWSA-N
MW231.30 g/mol
LogP2.63
Rot. Bonds5

About 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate

2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate (PubChem CID 106202755) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate.

Molecular Properties

Compound Name2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate
PubChem CID106202755
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate
SMILESNc1cccc(/C=C/C(=O)OCCC2CC2)c1
InChIInChI=1S/C14H17NO2/c15-13-3-1-2-12(10-13)6-7-14(16)17-9-8-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9,15H2/b7-6+
InChIKeyXRRFKCLJCFPSRG-VOTSOKGWSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.63
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 4-aminocinnamate
CID 736317
(2E)-3-(3-aminophenyl)acrylic acid
CID 700673
Ethyl 3-(4-aminophenyl)acrylate
CID 97826
Methyl p-aminocinnamate
CID 6365615
butyl (E)-3-(2-amino-5-fluorophenyl)prop-2-enoate
CID 139225007
3-(3-Aminophenyl)prop-2-enoic acid
CID 137145
Ethyl 3-(3-aminophenyl)acrylate
CID 5355747
ethyl (E)-3-(2-amino-5-fluorophenyl)prop-2-enoate
CID 122533927
Ethyl 3-(2-aminophenyl)acrylate
CID 5984553
methyl (E)-3-(3-aminophenyl)acrylate
CID 12394366
butyl (E)-3-(4-aminophenyl)prop-2-enoate
CID 53235922
Methyl 3-(2-aminophenyl)prop-2-enoate
CID 53439609

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate?
The IUPAC name of 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate (CID 106202755) is 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate.
What is the SMILES notation for 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate?
The canonical SMILES for 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate is Nc1cccc(/C=C/C(=O)OCCC2CC2)c1.
What is the InChIKey of 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate?
The InChIKey is XRRFKCLJCFPSRG-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H17NO2/c15-13-3-1-2-12(10-13)6-7-14(16)17-9-8-11-4-5-11/h1-3,6-7,10-11H,4-5,8-9,15H2/b7-6+.
What are the key properties of 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate?
2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate has a molecular weight of 231.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl (E)-3-(3-aminophenyl)prop-2-enoate is sourced from PubChem (CID 106202755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).