1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone

C10H14N2O2 — CID 83619262

IUPAC1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
SMILESNC1CCN(C(=O)Cc2ccco2)C1
InChIInChI=1S/C10H14N2O2/c11-8-3-4-12(7-8)10(13)6-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7,11H2
InChIKeyVXFOAIZUNKHXBN-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.38
Rot. Bonds2

About 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone

1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone (PubChem CID 83619262) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
PubChem CID83619262
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
SMILESNC1CCN(C(=O)Cc2ccco2)C1
InChIInChI=1S/C10H14N2O2/c11-8-3-4-12(7-8)10(13)6-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7,11H2
InChIKeyVXFOAIZUNKHXBN-UHFFFAOYSA-N
XLogP0.38
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 114802131
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
4-[1-[2-(furan-2-yl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 138024921
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone;hydrochloride
CID 119934548
1-(3-aminopiperidin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115277216
1-[3-(aminomethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 55210563
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2,3-difluorophenyl)ethanone
CID 81469146
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-bromothiophen-2-yl)ethanone
CID 119413490
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone (CID 83619262) is 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone is NC1CCN(C(=O)Cc2ccco2)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone?
The InChIKey is VXFOAIZUNKHXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8-3-4-12(7-8)10(13)6-9-2-1-5-14-9/h1-2,5,8H,3-4,6-7,11H2.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone?
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 83619262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).