3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal

C12H17NO2 — CID 13384388

IUPAC3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal
SMILESCC(C=O)(Cc1ccco1)N1CCCC1
InChIInChI=1S/C12H17NO2/c1-12(10-14,13-6-2-3-7-13)9-11-5-4-8-15-11/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyHOFBAIPRCVGXAY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.88
Rot. Bonds4

About 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal

3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal (PubChem CID 13384388) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal
PubChem CID13384388
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal
SMILESCC(C=O)(Cc1ccco1)N1CCCC1
InChIInChI=1S/C12H17NO2/c1-12(10-14,13-6-2-3-7-13)9-11-5-4-8-15-11/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyHOFBAIPRCVGXAY-UHFFFAOYSA-N
XLogP1.88
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-Furan-2-ylphenyl)-2-pyrrolidin-1-yl-pentan-1-one
CID 11197267
1-Azabicyclo[2.2.2]octan-3-one, 2-(2-furanylmethyl)-
CID 60524
2-[4-(Furan-2-yl)-2-oxopyrrolidin-1-yl]butanamide
CID 9921054
3-(Furan-2-yl)-N,N,2-trimethylpropan-1-amine
CID 32985
2-Furanpropylamine, N,N-dimethyl-beta-ethyl-
CID 32986
N-Ethyl-5-(furan-2-yl)-N,N-dimethylpentan-1-aminium iodide
CID 44515
N-Ethyl-6-(furan-2-yl)-N,N-dimethylhexan-2-aminium iodide
CID 44519
2-(Furan-2-yl)-N,N,N-trimethylethan-1-aminium iodide
CID 201200
3-(Furan-2-yl)-N,N,N,2-tetramethylpropan-1-aminium iodide
CID 212951
Ammonium, dimethylethyl(2-(2-furfuryl)propyl)-, iodide
CID 212953
Ammonium, dimethylethyl(2-(2-furfuryl)butyl)-, iodide
CID 212957
Ammonium, (2-(2-furyl)ethyl)dimethylethyl-, iodide
CID 217447

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal?
The IUPAC name of 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal (CID 13384388) is 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal.
What is the SMILES notation for 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal?
The canonical SMILES for 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal is CC(C=O)(Cc1ccco1)N1CCCC1.
What is the InChIKey of 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal?
The InChIKey is HOFBAIPRCVGXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(10-14,13-6-2-3-7-13)9-11-5-4-8-15-11/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal?
3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal has a molecular weight of 207.27 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-methyl-2-pyrrolidin-1-ylpropanal is sourced from PubChem (CID 13384388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).