1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one

C11H15NO2 — CID 170859218

IUPAC1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)c1ccco1
InChIInChI=1S/C11H15NO2/c13-10(11-4-3-9-14-11)5-8-12-6-1-2-7-12/h3-4,9H,1-2,5-8H2
InChIKeyVWIGOPYJWLQABV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.95
Rot. Bonds4

About 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 170859218) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID170859218
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)c1ccco1
InChIInChI=1S/C11H15NO2/c13-10(11-4-3-9-14-11)5-8-12-6-1-2-7-12/h3-4,9H,1-2,5-8H2
InChIKeyVWIGOPYJWLQABV-UHFFFAOYSA-N
XLogP1.95
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
3-pyrrolidin-1-yl-1-[10-(3-pyrrolidin-1-ylpropanoyl)anthracen-9-yl]propan-1-one
CID 139708502
ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate
CID 170859240
furan-2-yl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348367
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)propanoyl]phenyl]propan-1-one;dihydrochloride
CID 52997576

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 170859218) is 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is VWIGOPYJWLQABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c13-10(11-4-3-9-14-11)5-8-12-6-1-2-7-12/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 170859218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).