(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C10H12Cl2N2O2 — CID 66261632

IUPAC(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCn1c(C(=O)N2CC[C@@H](O)C2)cc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-13-8(4-7(11)9(13)12)10(16)14-3-2-6(15)5-14/h4,6,15H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyASYWFVYYCLFGSB-ZCFIWIBFSA-N
MW263.12 g/mol
LogP1.54
Rot. Bonds1

About (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66261632) has the molecular formula C10H12Cl2N2O2 and a molecular weight of 263.12 g/mol. Its IUPAC name is (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66261632
Molecular FormulaC10H12Cl2N2O2
Molecular Weight263.12 g/mol
Exact Mass262.03
IUPAC Name(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCn1c(C(=O)N2CC[C@@H](O)C2)cc(Cl)c1Cl
InChIInChI=1S/C10H12Cl2N2O2/c1-13-8(4-7(11)9(13)12)10(16)14-3-2-6(15)5-14/h4,6,15H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyASYWFVYYCLFGSB-ZCFIWIBFSA-N
XLogP1.54
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66261632) is (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cn1c(C(=O)N2CC[C@@H](O)C2)cc(Cl)c1Cl.
What is the InChIKey of (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is ASYWFVYYCLFGSB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2/c1-13-8(4-7(11)9(13)12)10(16)14-3-2-6(15)5-14/h4,6,15H,2-3,5H2,1H3/t6-/m1/s1.
What are the key properties of (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 263.12 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66261632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).