3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

C17H25NO2 — CID 66361819

IUPAC3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc2c(c1)CC(CN1CCCC1CCCO)O2
InChIInChI=1S/C17H25NO2/c1-13-6-7-17-14(10-13)11-16(20-17)12-18-8-2-4-15(18)5-3-9-19/h6-7,10,15-16,19H,2-5,8-9,11-12H2,1H3
InChIKeyNOVRBKWQOWGQAE-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.54
Rot. Bonds5

About 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 66361819) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID66361819
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
SMILESCc1ccc2c(c1)CC(CN1CCCC1CCCO)O2
InChIInChI=1S/C17H25NO2/c1-13-6-7-17-14(10-13)11-16(20-17)12-18-8-2-4-15(18)5-3-9-19/h6-7,10,15-16,19H,2-5,8-9,11-12H2,1H3
InChIKeyNOVRBKWQOWGQAE-UHFFFAOYSA-N
XLogP2.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol (CID 66361819) is 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is Cc1ccc2c(c1)CC(CN1CCCC1CCCO)O2.
What is the InChIKey of 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NOVRBKWQOWGQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-6-7-17-14(10-13)11-16(20-17)12-18-8-2-4-15(18)5-3-9-19/h6-7,10,15-16,19H,2-5,8-9,11-12H2,1H3.
What are the key properties of 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 66361819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).