2,5-diethylfuran;2,5-diethyl-1H-pyrrole

C16H25NO — CID 91584734

IUPAC2,5-diethylfuran;2,5-diethyl-1H-pyrrole
SMILESCCc1ccc(CC)[nH]1.CCc1ccc(CC)o1
InChIInChI=1S/C8H13N.C8H12O/c2*1-3-7-5-6-8(4-2)9-7/h5-6,9H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyPKERDOGKYLOMTJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.54
Rot. Bonds4

About 2,5-diethylfuran;2,5-diethyl-1H-pyrrole

2,5-diethylfuran;2,5-diethyl-1H-pyrrole (PubChem CID 91584734) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2,5-diethylfuran;2,5-diethyl-1H-pyrrole.

Molecular Properties

Compound Name2,5-diethylfuran;2,5-diethyl-1H-pyrrole
PubChem CID91584734
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2,5-diethylfuran;2,5-diethyl-1H-pyrrole
SMILESCCc1ccc(CC)[nH]1.CCc1ccc(CC)o1
InChIInChI=1S/C8H13N.C8H12O/c2*1-3-7-5-6-8(4-2)9-7/h5-6,9H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3
InChIKeyPKERDOGKYLOMTJ-UHFFFAOYSA-N
XLogP4.54
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-5-(2-furyl)-3-methoxy-2-[(5-undecyl-1H-pyrrol-2-yl)methylene]pyrrole
CID 53391816
(2Z)-2-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylene]-5-(2-furyl)-3-methoxy-pyrrole
CID 11514543
(E)-3-(5-ethylfuran-2-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 137649062
1H-Pyrrole-2-carboxylic acid, 5-(2-furanyl)-, methyl ester
CID 6623248
23-Oxa-24,25-diazatetracyclo[18.2.1.12,5.17,10]pentacosa-2(25),3,5,7,9,15,20,22-octaene, 4-methoxy-, (5Z,15E)-
CID 15955924
(5Z,15E)-4-methoxy-30-oxa-31,32-diazatetracyclo[25.2.1.12,5.17,10]dotriaconta-1(29),2(32),3,5,7,9,15,27-octaene
CID 57339723
(E)-1-(5-chloro-1H-pyrrol-2-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 52948814
2,6-Di-[2-(furan-2-yl)vinyl]pyridine
CID 5471824
(E)-3-(5-methylfuran-2-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 5737988
21-Oxa-22,23,24-triazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1(20),3,5,8,10,13,15,18-octaene
CID 23245436
1H-Pyrrole, 2-(2-furanylmethyl)-
CID 11094769
2-(furan-2-yl)-5-methyl-1H-pyrrole
CID 11263570

Frequently Asked Questions

What is the IUPAC name of 2,5-diethylfuran;2,5-diethyl-1H-pyrrole?
The IUPAC name of 2,5-diethylfuran;2,5-diethyl-1H-pyrrole (CID 91584734) is 2,5-diethylfuran;2,5-diethyl-1H-pyrrole.
What is the SMILES notation for 2,5-diethylfuran;2,5-diethyl-1H-pyrrole?
The canonical SMILES for 2,5-diethylfuran;2,5-diethyl-1H-pyrrole is CCc1ccc(CC)[nH]1.CCc1ccc(CC)o1.
What is the InChIKey of 2,5-diethylfuran;2,5-diethyl-1H-pyrrole?
The InChIKey is PKERDOGKYLOMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C8H12O/c2*1-3-7-5-6-8(4-2)9-7/h5-6,9H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-diethylfuran;2,5-diethyl-1H-pyrrole?
2,5-diethylfuran;2,5-diethyl-1H-pyrrole has a molecular weight of 247.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethylfuran;2,5-diethyl-1H-pyrrole is sourced from PubChem (CID 91584734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).