(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone

C13H15NO2 — CID 19914085

IUPAC(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCCCc1coc(C(=O)c2ccc[nH]2)c1
InChIInChI=1S/C13H15NO2/c1-2-3-5-10-8-12(16-9-10)13(15)11-6-4-7-14-11/h4,6-9,14H,2-3,5H2,1H3
InChIKeyDTIFGOSBBDZEAP-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.18
Rot. Bonds5

About (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone

(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 19914085) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID19914085
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone
SMILESCCCCc1coc(C(=O)c2ccc[nH]2)c1
InChIInChI=1S/C13H15NO2/c1-2-3-5-10-8-12(16-9-10)13(15)11-6-4-7-14-11/h4,6-9,14H,2-3,5H2,1H3
InChIKeyDTIFGOSBBDZEAP-UHFFFAOYSA-N
XLogP3.18
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone (CID 19914085) is (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone is CCCCc1coc(C(=O)c2ccc[nH]2)c1.
What is the InChIKey of (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is DTIFGOSBBDZEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-3-5-10-8-12(16-9-10)13(15)11-6-4-7-14-11/h4,6-9,14H,2-3,5H2,1H3.
What are the key properties of (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone?
(4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 217.27 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylfuran-2-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 19914085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).