1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol

C17H21NO2 — CID 79096943

IUPAC1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H21NO2/c1-12(2)17(19)14-7-8-18(10-14)11-15-9-13-5-3-4-6-16(13)20-15/h3-8,10,12,15,17,19H,9,11H2,1-2H3
InChIKeyWJSWOYUHRFAZHE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.18
Rot. Bonds4

About 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol

1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol (PubChem CID 79096943) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
PubChem CID79096943
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccn(CC2Cc3ccccc3O2)c1
InChIInChI=1S/C17H21NO2/c1-12(2)17(19)14-7-8-18(10-14)11-15-9-13-5-3-4-6-16(13)20-15/h3-8,10,12,15,17,19H,9,11H2,1-2H3
InChIKeyWJSWOYUHRFAZHE-UHFFFAOYSA-N
XLogP3.18
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]methanol
CID 79099405
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
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)triazol-4-yl]ethanol
CID 81444003
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
1-[4-(2,3-dihydro-1-benzofuran-2-ylmethoxy)phenyl]ethanol
CID 66364563

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol (CID 79096943) is 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol is CC(C)C(O)c1ccn(CC2Cc3ccccc3O2)c1.
What is the InChIKey of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
The InChIKey is WJSWOYUHRFAZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)17(19)14-7-8-18(10-14)11-15-9-13-5-3-4-6-16(13)20-15/h3-8,10,12,15,17,19H,9,11H2,1-2H3.
What are the key properties of 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol?
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrrol-3-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 79096943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).