(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone

C9H9BrClNO2 — CID 106689942

IUPAC(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1ccoc1Cl)N1CCC(Br)C1
InChIInChI=1S/C9H9BrClNO2/c10-6-1-3-12(5-6)9(13)7-2-4-14-8(7)11/h2,4,6H,1,3,5H2
InChIKeyQDWMAIGMNAQQOH-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.54
Rot. Bonds1

About (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone

(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone (PubChem CID 106689942) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone.

Molecular Properties

Compound Name(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
PubChem CID106689942
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC Name(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone
SMILESO=C(c1ccoc1Cl)N1CCC(Br)C1
InChIInChI=1S/C9H9BrClNO2/c10-6-1-3-12(5-6)9(13)7-2-4-14-8(7)11/h2,4,6H,1,3,5H2
InChIKeyQDWMAIGMNAQQOH-UHFFFAOYSA-N
XLogP2.54
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2-chlorofuran-3-yl)-(4-chloro-3-methylpiperidin-1-yl)methanone
CID 106690201
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
(4-amino-3-ethylpiperidin-1-yl)-(2-chlorofuran-3-yl)methanone
CID 106688582
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
(2-chlorofuran-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 106686990
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
1-(2-chlorofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106683486
(5-bromo-2-chlorophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677503
(2-chlorofuran-3-yl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 106687354
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-chlorofuran-3-yl)methanone
CID 106688551
(2-chlorofuran-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 106688448

Frequently Asked Questions

What is the IUPAC name of (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone?
The IUPAC name of (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone (CID 106689942) is (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone.
What is the SMILES notation for (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone?
The canonical SMILES for (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone is O=C(c1ccoc1Cl)N1CCC(Br)C1.
What is the InChIKey of (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone?
The InChIKey is QDWMAIGMNAQQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c10-6-1-3-12(5-6)9(13)7-2-4-14-8(7)11/h2,4,6H,1,3,5H2.
What are the key properties of (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone?
(3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone has a molecular weight of 278.53 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromopyrrolidin-1-yl)-(2-chlorofuran-3-yl)methanone is sourced from PubChem (CID 106689942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).