(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one

C13H11NO2 — CID 14929509

IUPAC(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESNc1ccccc1C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H11NO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H,14H2/b8-7+
InChIKeyJJZTWBURDUDILF-BQYQJAHWSA-N
MW213.24 g/mol
LogP2.76
Rot. Bonds3

About (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one

(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one (PubChem CID 14929509) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
PubChem CID14929509
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
SMILESNc1ccccc1C(=O)/C=C/c1ccco1
InChIInChI=1S/C13H11NO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H,14H2/b8-7+
InChIKeyJJZTWBURDUDILF-BQYQJAHWSA-N
XLogP2.76
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.76
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

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CID 16203332
4-(3-Furanyl)benzenamine
CID 44420988
3-(5-Methylfuran-2-yl)aniline
CID 793234
4-(2-Furyl)Aniline Hydrochloride
CID 4191105
5-Amino-2-(2-furylmethylene)-1-indanone
CID 763676
2-Phenoxyethyl 2-aminobenzoate
CID 657660
2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzamide
CID 712939
2-{[3-(2-Furyl)acryloyl]amino}benzoic acid
CID 879444
(3Z)-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 5476622
3-(2-Furyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 5712594
Phenyl anthranilate
CID 66300
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one (CID 14929509) is (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one is Nc1ccccc1C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one?
The InChIKey is JJZTWBURDUDILF-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H11NO2/c14-12-6-2-1-5-11(12)13(15)8-7-10-4-3-9-16-10/h1-9H,14H2/b8-7+.
What are the key properties of (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one?
(E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one has a molecular weight of 213.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one is sourced from PubChem (CID 14929509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).