1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C17H30N2O2 — CID 95305573

IUPAC1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC1(O)CCCCC1
InChIInChI=1S/C17H30N2O2/c1-14(20)19-12-6-8-16(19)15-7-5-11-18(15)13-17(21)9-3-2-4-10-17/h15-16,21H,2-13H2,1H3/t15-,16-/m0/s1
InChIKeyZDIBNAYDGOJHBC-HOTGVXAUSA-N
MW294.44 g/mol
LogP2.16
Rot. Bonds3

About 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95305573) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95305573
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC1(O)CCCCC1
InChIInChI=1S/C17H30N2O2/c1-14(20)19-12-6-8-16(19)15-7-5-11-18(15)13-17(21)9-3-2-4-10-17/h15-16,21H,2-13H2,1H3/t15-,16-/m0/s1
InChIKeyZDIBNAYDGOJHBC-HOTGVXAUSA-N
XLogP2.16
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

1-[(4aR,9aR)-1-[(1-hydroxycycloheptyl)methyl]-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 155994689
1-[1-[(1-hydroxycyclohexyl)methyl]piperidin-2-yl]propan-2-one
CID 79536181
1-[1-[(1-hydroxycyclohexyl)methyl]azepan-2-yl]propan-2-one
CID 79559850
2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95612816
1-(2-cyclobutylpyrrolidin-1-yl)-2-(1-hydroxycyclohexyl)ethanone
CID 111537997
1-[(2S)-2-[(2R)-1-(3-methylsulfonylpropyl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95342506
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-[(2-methylazetidin-1-yl)methyl]cycloheptan-1-ol
CID 104550058
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 129426760
2-[(2R)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 129426759
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 129426736
1-[(2R)-2-[(2S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 98759002

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95305573) is 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZDIBNAYDGOJHBC-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(20)19-12-6-8-16(19)15-7-5-11-18(15)13-17(21)9-3-2-4-10-17/h15-16,21H,2-13H2,1H3/t15-,16-/m0/s1.
What are the key properties of 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(2S)-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95305573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).