[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone

C16H13NO2S — CID 143924423

IUPAC[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone
SMILESCc1c(/C=C/c2ccco2)ccn1C(=O)c1cccs1
InChIInChI=1S/C16H13NO2S/c1-12-13(6-7-14-4-2-10-19-14)8-9-17(12)16(18)15-5-3-11-20-15/h2-11H,1H3/b7-6+
InChIKeyJHSAZZRTWKQPFJ-VOTSOKGWSA-N
MW283.35 g/mol
LogP4.31
Rot. Bonds3

About [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone

[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone (PubChem CID 143924423) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone
PubChem CID143924423
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone
SMILESCc1c(/C=C/c2ccco2)ccn1C(=O)c1cccs1
InChIInChI=1S/C16H13NO2S/c1-12-13(6-7-14-4-2-10-19-14)8-9-17(12)16(18)15-5-3-11-20-15/h2-11H,1H3/b7-6+
InChIKeyJHSAZZRTWKQPFJ-VOTSOKGWSA-N
XLogP4.31
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

15-(Furan-3-yl)-13-(4-methyl-1,3-thiazol-2-yl)-4,11-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,13-pentaen-12-one
CID 44291331
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 645052
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
ethyl (2Z)-2-[(5Z)-3-[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]acetate
CID 2489592
(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 16293900
N-(pyridin-2-ylmethyl)-N-(thiophen-3-ylmethyl)furan-2-carboxamide
CID 49715412
[4-(1-Fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone
CID 90995967
(2E)-3-(2-furyl)-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)prop-2-en-1-amine
CID 46995818
diethyl 2-[(E)-furan-2-ylmethylideneamino]-5-[(E)-(1-methylpyrrol-2-yl)methylideneamino]thiophene-3,4-dicarboxylate
CID 139090669
2,5-dimethyl-1-(thiophen-2-ylmethyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyrrole-3-carboxamide
CID 55689376
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 60565432
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 133994114

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone (CID 143924423) is [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone is Cc1c(/C=C/c2ccco2)ccn1C(=O)c1cccs1.
What is the InChIKey of [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone?
The InChIKey is JHSAZZRTWKQPFJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-12-13(6-7-14-4-2-10-19-14)8-9-17(12)16(18)15-5-3-11-20-15/h2-11H,1H3/b7-6+.
What are the key properties of [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone?
[3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone has a molecular weight of 283.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-(furan-2-yl)ethenyl]-2-methylpyrrol-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 143924423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).