[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone

C19H29NO3 — CID 129485439

IUPAC[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
SMILESCCCc1occc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O
InChIInChI=1S/C19H29NO3/c1-3-7-17-14(10-13-23-17)18(21)20-12-6-9-16(20)15-8-4-5-11-19(15,2)22/h10,13,15-16,22H,3-9,11-12H2,1-2H3/t15-,16+,19+/m0/s1
InChIKeyFFVAAFONFNNYAK-FRQCXROJSA-N
MW319.44 g/mol
LogP3.78
Rot. Bonds4

About [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone

[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone (PubChem CID 129485439) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
PubChem CID129485439
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
SMILESCCCc1occc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O
InChIInChI=1S/C19H29NO3/c1-3-7-17-14(10-13-23-17)18(21)20-12-6-9-16(20)15-8-4-5-11-19(15,2)22/h10,13,15-16,22H,3-9,11-12H2,1-2H3/t15-,16+,19+/m0/s1
InChIKeyFFVAAFONFNNYAK-FRQCXROJSA-N
XLogP3.78
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone with MolForge

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Related Compounds

(1,5-dimethylpyrrol-2-yl)-[(2R)-2-[(1R,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]methanone
CID 129485894
(1,5-dimethylpyrrol-2-yl)-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]methanone
CID 128989039
[(2R)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone
CID 124873595
[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 128989038
1-[(2R)-2-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 129351917
1-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 128989037
(4-hydroxycyclohexyl)-[(2S)-2-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]methanone
CID 129491778
2-[3-(2,3-dimethylpiperidine-1-carbonyl)furan-2-yl]acetic acid
CID 114217804
[(2R)-2-[(1R,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
CID 129346502
[(2R)-2-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(5-propan-2-yloxy-2-pyridinyl)methanone
CID 129346500
2-(cyclopropylmethoxy)-1-[(2S)-2-[(1R,2S)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]ethanone
CID 129351922
2-(cyclopropylmethoxy)-1-[2-(2-hydroxy-2-methylcyclohexyl)pyrrolidin-1-yl]ethanone
CID 128989045

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone?
The IUPAC name of [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone (CID 129485439) is [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone is CCCc1occc1C(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O.
What is the InChIKey of [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone?
The InChIKey is FFVAAFONFNNYAK-FRQCXROJSA-N. The full InChI is InChI=1S/C19H29NO3/c1-3-7-17-14(10-13-23-17)18(21)20-12-6-9-16(20)15-8-4-5-11-19(15,2)22/h10,13,15-16,22H,3-9,11-12H2,1-2H3/t15-,16+,19+/m0/s1.
What are the key properties of [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone?
[(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone has a molecular weight of 319.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-(2-propylfuran-3-yl)methanone is sourced from PubChem (CID 129485439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).