1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol

C15H19NO2 — CID 114724418

IUPAC1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
SMILESCc1cccc2cc(C3(O)CC(C)N(C)C3)oc12
InChIInChI=1S/C15H19NO2/c1-10-5-4-6-12-7-13(18-14(10)12)15(17)8-11(2)16(3)9-15/h4-7,11,17H,8-9H2,1-3H3
InChIKeyWBQUDIAFFCPKHP-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.65
Rot. Bonds1

About 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol

1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol (PubChem CID 114724418) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
PubChem CID114724418
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol
SMILESCc1cccc2cc(C3(O)CC(C)N(C)C3)oc12
InChIInChI=1S/C15H19NO2/c1-10-5-4-6-12-7-13(18-14(10)12)15(17)8-11(2)16(3)9-15/h4-7,11,17H,8-9H2,1-3H3
InChIKeyWBQUDIAFFCPKHP-UHFFFAOYSA-N
XLogP2.65
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,5-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114722876
2-(7-methyl-1-benzofuran-2-yl)-1,3-dihydroinden-2-ol
CID 114722939
4-hydroxy-4-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-one
CID 114724058
8-(7-methyl-1-benzofuran-2-yl)spiro[4.5]decan-8-ol
CID 114819752
2,4,4-trimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114724391
2,2-dimethyl-4-(7-methyl-1-benzofuran-2-yl)oxan-4-ol
CID 114723809
2,3-dimethyl-1-(7-methyl-1-benzofuran-2-yl)cyclohexan-1-ol
CID 114723887
1-(7-methyl-1-benzofuran-2-yl)-4-(propylamino)cyclohexan-1-ol
CID 114735091
3-(3-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468134
3-amino-1-(7-chloro-1-benzofuran-2-yl)cyclobutan-1-ol
CID 114724352
1,5-dimethyl-3-(2-methylquinolin-6-yl)pyrrolidin-3-ol
CID 81467927
1-(7-chloro-1-benzofuran-2-yl)-4-methylcycloheptan-1-ol
CID 114723977

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol (CID 114724418) is 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol is Cc1cccc2cc(C3(O)CC(C)N(C)C3)oc12.
What is the InChIKey of 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol?
The InChIKey is WBQUDIAFFCPKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-5-4-6-12-7-13(18-14(10)12)15(17)8-11(2)16(3)9-15/h4-7,11,17H,8-9H2,1-3H3.
What are the key properties of 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol?
1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol has a molecular weight of 245.32 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(7-methyl-1-benzofuran-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 114724418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).