1-[(5-methylfuran-2-yl)methyl]pyrrole

C10H11NO — CID 529064

IUPAC1-[(5-methylfuran-2-yl)methyl]pyrrole
SMILESCc1ccc(Cn2cccc2)o1
InChIInChI=1S/C10H11NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h2-7H,8H2,1H3
InChIKeyCAHIUMOBCXFSCC-UHFFFAOYSA-N
MW161.20 g/mol
LogP2.44
Rot. Bonds2

About 1-[(5-methylfuran-2-yl)methyl]pyrrole

1-[(5-methylfuran-2-yl)methyl]pyrrole (PubChem CID 529064) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-[(5-methylfuran-2-yl)methyl]pyrrole.

Molecular Properties

Compound Name1-[(5-methylfuran-2-yl)methyl]pyrrole
PubChem CID529064
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-[(5-methylfuran-2-yl)methyl]pyrrole
SMILESCc1ccc(Cn2cccc2)o1
InChIInChI=1S/C10H11NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h2-7H,8H2,1H3
InChIKeyCAHIUMOBCXFSCC-UHFFFAOYSA-N
XLogP2.44
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Furfurylpyrrole
CID 15037
2-Acetyl-1-furfurylpyrrole
CID 20560368
1-((furan-2-yl)methyl)-2,5-dimethyl-1H-pyrrole
CID 2378281
(5-Methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate
CID 5217234
1-((Furan-2-yl)methyl)-1H-pyrrole-2-carbaldehyde
CID 529880
1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2414080
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 744557
(E)-3-(5-ethylfuran-2-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 137649062
1-[2-(Furan-2-yl)ethyl]-1H-pyrrole
CID 61470653
(2-Furylmethyl)(2-(2-pyridyloxy)ethyl)amine
CID 45259124
2-[(E)-2-(furan-2-yl)ethenyl]-1-methylpyridin-1-ium iodide
CID 16413834
(NE)-N-[[1-(furan-2-ylmethyl)pyridin-1-ium-3-yl]methylidene]hydroxylamine chloride
CID 45484577

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrole?
The IUPAC name of 1-[(5-methylfuran-2-yl)methyl]pyrrole (CID 529064) is 1-[(5-methylfuran-2-yl)methyl]pyrrole.
What is the SMILES notation for 1-[(5-methylfuran-2-yl)methyl]pyrrole?
The canonical SMILES for 1-[(5-methylfuran-2-yl)methyl]pyrrole is Cc1ccc(Cn2cccc2)o1.
What is the InChIKey of 1-[(5-methylfuran-2-yl)methyl]pyrrole?
The InChIKey is CAHIUMOBCXFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h2-7H,8H2,1H3.
What are the key properties of 1-[(5-methylfuran-2-yl)methyl]pyrrole?
1-[(5-methylfuran-2-yl)methyl]pyrrole has a molecular weight of 161.20 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylfuran-2-yl)methyl]pyrrole is sourced from PubChem (CID 529064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).