cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol

C17H19NO2 — CID 79099405

IUPACcyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(CC2Cc3ccccc3O2)c1)C1CC1
InChIInChI=1S/C17H19NO2/c19-17(12-5-6-12)14-7-8-18(10-14)11-15-9-13-3-1-2-4-16(13)20-15/h1-4,7-8,10,12,15,17,19H,5-6,9,11H2
InChIKeyOFBOBTGDCIHEKO-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.94
Rot. Bonds4

About cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol

cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol (PubChem CID 79099405) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
PubChem CID79099405
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namecyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
SMILESOC(c1ccn(CC2Cc3ccccc3O2)c1)C1CC1
InChIInChI=1S/C17H19NO2/c19-17(12-5-6-12)14-7-8-18(10-14)11-15-9-13-3-1-2-4-16(13)20-15/h1-4,7-8,10,12,15,17,19H,5-6,9,11H2
InChIKeyOFBOBTGDCIHEKO-UHFFFAOYSA-N
XLogP2.94
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79096943
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104785
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methyl]ethanamine
CID 66406529
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-N-methylmethanamine
CID 66404078
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]propan-2-amine
CID 66399277
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrol-3-yl]ethanol
CID 79102300
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372
2-[3-[cyclopropyl(hydroxy)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 79103534
8-(2,3-dihydro-1-benzofuran-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738570
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol
CID 81444003

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol (CID 79099405) is cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol is OC(c1ccn(CC2Cc3ccccc3O2)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol?
The InChIKey is OFBOBTGDCIHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(12-5-6-12)14-7-8-18(10-14)11-15-9-13-3-1-2-4-16(13)20-15/h1-4,7-8,10,12,15,17,19H,5-6,9,11H2.
What are the key properties of cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol?
cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol has a molecular weight of 269.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 79099405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).