(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C9H10ClNO3S — CID 106671123

IUPAC(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1sccc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C9H10ClNO3S/c10-5-1-2-15-8(5)9(14)11-3-6(12)7(13)4-11/h1-2,6-7,12-13H,3-4H2
InChIKeyBIEWGHGFZLSNJR-UHFFFAOYSA-N
MW247.70 g/mol
LogP0.58
Rot. Bonds1

About (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106671123) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106671123
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1sccc1Cl)N1CC(O)C(O)C1
InChIInChI=1S/C9H10ClNO3S/c10-5-1-2-15-8(5)9(14)11-3-6(12)7(13)4-11/h1-2,6-7,12-13H,3-4H2
InChIKeyBIEWGHGFZLSNJR-UHFFFAOYSA-N
XLogP0.58
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106671123) is (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is O=C(c1sccc1Cl)N1CC(O)C(O)C1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is BIEWGHGFZLSNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c10-5-1-2-15-8(5)9(14)11-3-6(12)7(13)4-11/h1-2,6-7,12-13H,3-4H2.
What are the key properties of (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 247.70 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106671123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).