(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol

C15H21NO2 — CID 64512506

IUPAC(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
SMILESCC1(C)Cc2cccc(C(O)C3CCCN3)c2O1
InChIInChI=1S/C15H21NO2/c1-15(2)9-10-5-3-6-11(14(10)18-15)13(17)12-7-4-8-16-12/h3,5-6,12-13,16-17H,4,7-9H2,1-2H3
InChIKeyHSROREIKXPDRSP-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol

(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol (PubChem CID 64512506) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
PubChem CID64512506
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
SMILESCC1(C)Cc2cccc(C(O)C3CCCN3)c2O1
InChIInChI=1S/C15H21NO2/c1-15(2)9-10-5-3-6-11(14(10)18-15)13(17)12-7-4-8-16-12/h3,5-6,12-13,16-17H,4,7-9H2,1-2H3
InChIKeyHSROREIKXPDRSP-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-7-yl)-(1,1-dioxothiolan-3-yl)methanol
CID 64506367
(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyrrolidine
CID 102820001
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 117314266
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-ol
CID 64567200
2-(cyclopropylamino)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)acetic acid
CID 64507723
(2,2-dimethyl-3H-1-benzofuran-7-yl)-[(2R)-1-(7H-purin-6-yl)pyrrolidin-2-yl]methanol
CID 135285007
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
CID 64686696
methyl 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxybutanoate
CID 64507467
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(furan-2-yl)ethanol
CID 83171234
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol (CID 64512506) is (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol is CC1(C)Cc2cccc(C(O)C3CCCN3)c2O1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is HSROREIKXPDRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2)9-10-5-3-6-11(14(10)18-15)13(17)12-7-4-8-16-12/h3,5-6,12-13,16-17H,4,7-9H2,1-2H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol?
(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 247.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 64512506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).