(3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol

C11H13NO2 — CID 130510016

IUPAC(3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol
SMILESCc1c[nH]c(C(O)c2ccco2)c1C
InChIInChI=1S/C11H13NO2/c1-7-6-12-10(8(7)2)11(13)9-4-3-5-14-9/h3-6,11-13H,1-2H3
InChIKeyYATJPIOTUWABPY-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.31
Rot. Bonds2

About (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol

(3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol (PubChem CID 130510016) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol
PubChem CID130510016
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol
SMILESCc1c[nH]c(C(O)c2ccco2)c1C
InChIInChI=1S/C11H13NO2/c1-7-6-12-10(8(7)2)11(13)9-4-3-5-14-9/h3-6,11-13H,1-2H3
InChIKeyYATJPIOTUWABPY-UHFFFAOYSA-N
XLogP2.31
TPSA49.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

furan-2-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanol
CID 63927710
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CID 61099242
(R)-(4-fluoro-3-methylphenyl)-(furan-2-yl)methanol
CID 94602014
(2,5-dibromo-4-methylphenyl)-(furan-2-yl)methanol
CID 81473673
furan-2-yl(1H-imidazol-2-yl)methanol
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furan-2-yl-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130884580
furan-2-yl-(5-methyl-3-pyridinyl)methanol
CID 115373621
furan-2-yl-(4-methyl-1,3-thiazol-5-yl)methanol
CID 22101827
furan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769449
1,3-bis(furan-2-yl)propane-1,2,3-triol
CID 70525722
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
(3-bromo-5-methylthiophen-2-yl)-(furan-2-yl)methanol
CID 65278798

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol?
The IUPAC name of (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol (CID 130510016) is (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol.
What is the SMILES notation for (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol?
The canonical SMILES for (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol is Cc1c[nH]c(C(O)c2ccco2)c1C.
What is the InChIKey of (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol?
The InChIKey is YATJPIOTUWABPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-6-12-10(8(7)2)11(13)9-4-3-5-14-9/h3-6,11-13H,1-2H3.
What are the key properties of (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol?
(3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol has a molecular weight of 191.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-1H-pyrrol-2-yl)-(furan-2-yl)methanol is sourced from PubChem (CID 130510016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).