[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

C14H17BrN2O4 — CID 60707747

IUPAC[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1C(=O)c1ccc(Br)o1)N1CCOCC1
InChIInChI=1S/C14H17BrN2O4/c15-12-4-3-11(21-12)14(19)17-5-1-2-10(17)13(18)16-6-8-20-9-7-16/h3-4,10H,1-2,5-9H2
InChIKeyGMOKVOBBYANOSB-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.51
Rot. Bonds2

About [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone

[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 60707747) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID60707747
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN1C(=O)c1ccc(Br)o1)N1CCOCC1
InChIInChI=1S/C14H17BrN2O4/c15-12-4-3-11(21-12)14(19)17-5-1-2-10(17)13(18)16-6-8-20-9-7-16/h3-4,10H,1-2,5-9H2
InChIKeyGMOKVOBBYANOSB-UHFFFAOYSA-N
XLogP1.51
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
(5-bromofuran-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 62060856
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 81483336
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
[1-[4-(methoxymethyl)benzoyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 136522845
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
1-morpholin-4-yl-2-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]ethane-1,2-dione
CID 55936595
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(5-bromofuran-2-yl)methanone
CID 68600468

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 60707747) is [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is O=C(C1CCCN1C(=O)c1ccc(Br)o1)N1CCOCC1.
What is the InChIKey of [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GMOKVOBBYANOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O4/c15-12-4-3-11(21-12)14(19)17-5-1-2-10(17)13(18)16-6-8-20-9-7-16/h3-4,10H,1-2,5-9H2.
What are the key properties of [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 357.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 60707747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).