[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone

C10H12BrNO2 — CID 80666702

IUPAC[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(CBr)C1
InChIInChI=1S/C10H12BrNO2/c11-5-8-1-3-12(6-8)10(13)9-2-4-14-7-9/h2,4,7-8H,1,3,5-6H2
InChIKeyKFUGGANCWSPLBP-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.14
Rot. Bonds2

About [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone

[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone (PubChem CID 80666702) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
PubChem CID80666702
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(CBr)C1
InChIInChI=1S/C10H12BrNO2/c11-5-8-1-3-12(6-8)10(13)9-2-4-14-7-9/h2,4,7-8H,1,3,5-6H2
InChIKeyKFUGGANCWSPLBP-UHFFFAOYSA-N
XLogP2.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.14
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

(3-bromo-4-methylpiperidin-1-yl)-(furan-3-yl)methanone
CID 102962435
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
[3-(bromomethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 107974926
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
(3-ethyl-4-hydroxypiperidin-1-yl)-(furan-3-yl)methanone
CID 114509899
[3-(chloromethyl)azetidin-1-yl]-(furan-3-yl)methanone
CID 130531402
[3-(bromomethyl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 80667807
[3-(bromomethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 80668330
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl(furan-3-yl)methanone
CID 68602223
4-bromo-N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521806
[3-(bromomethyl)pyrrolidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82880080
[3-ethyl-4-(methylamino)piperidin-1-yl]-(furan-3-yl)methanone
CID 114506512

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone (CID 80666702) is [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(CBr)C1.
What is the InChIKey of [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is KFUGGANCWSPLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-5-8-1-3-12(6-8)10(13)9-2-4-14-7-9/h2,4,7-8H,1,3,5-6H2.
What are the key properties of [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone?
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 258.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 80666702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).