1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one

C12H18N2O2 — CID 115699429

IUPAC1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2ccco2)C1
InChIInChI=1S/C12H18N2O2/c1-2-12(15)14-6-5-10(9-14)13-8-11-4-3-7-16-11/h3-4,7,10,13H,2,5-6,8-9H2,1H3
InChIKeyOJFMFTGFYFAJKQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds4

About 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one

1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one (PubChem CID 115699429) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
PubChem CID115699429
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2ccco2)C1
InChIInChI=1S/C12H18N2O2/c1-2-12(15)14-6-5-10(9-14)13-8-11-4-3-7-16-11/h3-4,7,10,13H,2,5-6,8-9H2,1H3
InChIKeyOJFMFTGFYFAJKQ-UHFFFAOYSA-N
XLogP1.38
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
1-cyclohexyl-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059883
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059891
2-[2-(furan-2-yl)ethyl]-1-(1-phenylethyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059913
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478
2-[2-(furan-2-yl)ethyl]-1-(2-phenylsulfanylethyl)-3-(1-propanoylpyrrolidin-3-yl)guanidine
CID 110059906
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine;hydroiodide
CID 110059929
1-[4-[4-(furan-2-yl)butan-2-ylamino]piperidin-1-yl]ethanone
CID 43224097
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one (CID 115699429) is 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(NCc2ccco2)C1.
What is the InChIKey of 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one?
The InChIKey is OJFMFTGFYFAJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-12(15)14-6-5-10(9-14)13-8-11-4-3-7-16-11/h3-4,7,10,13H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one?
1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 115699429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).