1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one

C12H17BrN2O2 — CID 103675388

IUPAC1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1occc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9(8-15-5-2-3-12(15)16)14-7-11-10(13)4-6-17-11/h4,6,9,14H,2-3,5,7-8H2,1H3
InChIKeyXBBHGOXIYWZHFB-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 103675388) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID103675388
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1occc1Br
InChIInChI=1S/C12H17BrN2O2/c1-9(8-15-5-2-3-12(15)16)14-7-11-10(13)4-6-17-11/h4,6,9,14H,2-3,5,7-8H2,1H3
InChIKeyXBBHGOXIYWZHFB-UHFFFAOYSA-N
XLogP2.14
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N,N'-Difurfuryloxamide
CID 330826
fur-2-oyl-Val-N(Et)Gly-NHiPr
CID 2650177
N-[2-(2-furoylamino)-1-methylethyl]-2-furamide
CID 2837020
N-(2-furylmethyl)-2-(1-pyrrolidinyl)-2-thioxoacetamide
CID 2975846
5-bromo-N-{2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}-2-furamide
CID 2977240
5-Bromo-N-(2-oxo-2-(pyrrolidin-1-yl)ethyl)furan-2-carboxamide
CID 2977895
(3-Bromo-2-furanyl)(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)methanone
CID 24945032
2(1H)-Pyridinone, 5-ethyl-3-((2-furanylmethyl)amino)-6-methyl-
CID 454399
5-bromo-N-[2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2837032
Icosa-5,8,11,14-tetraenoic acid (furan-2-ylmethyl)-amide
CID 9821406
(6R)-1-(furan-2-ylmethyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 53304358

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one (CID 103675388) is 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1occc1Br.
What is the InChIKey of 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is XBBHGOXIYWZHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-9(8-15-5-2-3-12(15)16)14-7-11-10(13)4-6-17-11/h4,6,9,14H,2-3,5,7-8H2,1H3.
What are the key properties of 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 301.18 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-bromofuran-2-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 103675388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).