(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone

C9H11ClN2O2 — CID 86797014

IUPAC(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCn1cc(Cl)cc1C(=O)N1CCCO1
InChIInChI=1S/C9H11ClN2O2/c1-11-6-7(10)5-8(11)9(13)12-3-2-4-14-12/h5-6H,2-4H2,1H3
InChIKeyBCCQFXJBDYSXOX-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.46
Rot. Bonds1

About (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone

(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 86797014) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID86797014
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone
SMILESCn1cc(Cl)cc1C(=O)N1CCCO1
InChIInChI=1S/C9H11ClN2O2/c1-11-6-7(10)5-8(11)9(13)12-3-2-4-14-12/h5-6H,2-4H2,1H3
InChIKeyBCCQFXJBDYSXOX-UHFFFAOYSA-N
XLogP1.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone (CID 86797014) is (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone is Cn1cc(Cl)cc1C(=O)N1CCCO1.
What is the InChIKey of (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is BCCQFXJBDYSXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-11-6-7(10)5-8(11)9(13)12-3-2-4-14-12/h5-6H,2-4H2,1H3.
What are the key properties of (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone?
(4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 214.65 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrrol-2-yl)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 86797014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).