(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C15H19NO3 — CID 79029424

IUPAC(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC1Oc2c(C(=O)N3CC[C@H](O)C3)cccc2C1C
InChIInChI=1S/C15H19NO3/c1-9-10(2)19-14-12(9)4-3-5-13(14)15(18)16-7-6-11(17)8-16/h3-5,9-11,17H,6-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyGHFLQVBFYSSXSO-ILDUYXDCSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds1

About (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 79029424) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID79029424
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCC1Oc2c(C(=O)N3CC[C@H](O)C3)cccc2C1C
InChIInChI=1S/C15H19NO3/c1-9-10(2)19-14-12(9)4-3-5-13(14)15(18)16-7-6-11(17)8-16/h3-5,9-11,17H,6-8H2,1-2H3/t9?,10?,11-/m0/s1
InChIKeyGHFLQVBFYSSXSO-ILDUYXDCSA-N
XLogP1.78
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
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[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-[(2R,3R)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl]methanone
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(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
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(2,5-dihydroxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
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(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
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(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 79029424) is (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CC1Oc2c(C(=O)N3CC[C@H](O)C3)cccc2C1C.
What is the InChIKey of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is GHFLQVBFYSSXSO-ILDUYXDCSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-10(2)19-14-12(9)4-3-5-13(14)15(18)16-7-6-11(17)8-16/h3-5,9-11,17H,6-8H2,1-2H3/t9?,10?,11-/m0/s1.
What are the key properties of (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 261.32 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 79029424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).