[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone

C16H23NO3 — CID 129372840

IUPAC[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H23NO3/c1-11-8-10-20-15(11)16(19)17-9-4-6-13(17)12-5-2-3-7-14(12)18/h8,10,12-14,18H,2-7,9H2,1H3/t12-,13-,14+/m1/s1
InChIKeyPMKHQTPAQNUGNL-MCIONIFRSA-N
MW277.36 g/mol
LogP2.74
Rot. Bonds2

About [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone

[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 129372840) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID129372840
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H23NO3/c1-11-8-10-20-15(11)16(19)17-9-4-6-13(17)12-5-2-3-7-14(12)18/h8,10,12-14,18H,2-7,9H2,1H3/t12-,13-,14+/m1/s1
InChIKeyPMKHQTPAQNUGNL-MCIONIFRSA-N
XLogP2.74
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone with MolForge

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Related Compounds

2-[1-(3-methylfuran-2-carbonyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79547381
[2-(chloromethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63395106
1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 3150890
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
(1,3-dimethylpyrrol-2-yl)-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129447632
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 95357633
ethyl 1-(3-methylfuran-2-carbonyl)piperidine-2-carboxylate
CID 78915855
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 79546610
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
CID 129481058
N-[[(2S)-1-(3-methylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 97073184
(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 129372840) is [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is PMKHQTPAQNUGNL-MCIONIFRSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-8-10-20-15(11)16(19)17-9-4-6-13(17)12-5-2-3-7-14(12)18/h8,10,12-14,18H,2-7,9H2,1H3/t12-,13-,14+/m1/s1.
What are the key properties of [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 277.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 129372840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).