(4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone

C12H21NO2 — CID 144626916

IUPAC(4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-9-6-7-13(8-9)12(15)10-2-4-11(14)5-3-10/h9-11,14H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyAMULDPXPMWZLGJ-WHXUTIOJSA-N
MW211.30 g/mol
LogP1.41
Rot. Bonds1

About (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone

(4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 144626916) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone
PubChem CID144626916
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone
SMILESC[C@H]1CCN(C(=O)C2CCC(O)CC2)C1
InChIInChI=1S/C12H21NO2/c1-9-6-7-13(8-9)12(15)10-2-4-11(14)5-3-10/h9-11,14H,2-8H2,1H3/t9-,10?,11?/m0/s1
InChIKeyAMULDPXPMWZLGJ-WHXUTIOJSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone (CID 144626916) is (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone is C[C@H]1CCN(C(=O)C2CCC(O)CC2)C1.
What is the InChIKey of (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is AMULDPXPMWZLGJ-WHXUTIOJSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-6-7-13(8-9)12(15)10-2-4-11(14)5-3-10/h9-11,14H,2-8H2,1H3/t9-,10?,11?/m0/s1.
What are the key properties of (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone?
(4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 211.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl)-[(3S)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 144626916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).