[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone

C10H12BrNO2 — CID 74554943

IUPAC[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC1CBr
InChIInChI=1S/C10H12BrNO2/c11-7-8-3-1-5-12(8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2
InChIKeyNOCKMTYHIMUXKR-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.28
Rot. Bonds2

About [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone

[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 74554943) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID74554943
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCCC1CBr
InChIInChI=1S/C10H12BrNO2/c11-7-8-3-1-5-12(8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2
InChIKeyNOCKMTYHIMUXKR-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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

1-[1-(furan-2-carbonyl)pyrrolidin-2-yl]propan-2-one
CID 79540989
furan-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651190
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
[2-(4-bromophenyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 47313418
1-[2-(bromomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80659467
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
[2-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 155881609
[2-(bromomethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 80677593
[(2S)-2-(1-benzylpiperidin-4-yl)pyrrolidin-1-yl]-(furan-2-yl)methanone
CID 95591260
N-[[(2R)-1-(furan-2-carbonyl)pyrrolidin-2-yl]methyl]-N,5-dimethyl-2H-triazole-4-carboxamide
CID 167755789
[2-(bromomethyl)pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 74554951
[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 108990325

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone (CID 74554943) is [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCCC1CBr.
What is the InChIKey of [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is NOCKMTYHIMUXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-7-8-3-1-5-12(8)10(13)9-4-2-6-14-9/h2,4,6,8H,1,3,5,7H2.
What are the key properties of [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
[2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 258.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 74554943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).