(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol

C11H21NO — CID 140584539

IUPAC(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](C2CCCCC2)[C@@H](O)C1
InChIInChI=1S/C11H21NO/c1-12-7-10(11(13)8-12)9-5-3-2-4-6-9/h9-11,13H,2-8H2,1H3/t10-,11+/m1/s1
InChIKeyNTRKUKDMJJYRAG-MNOVXSKESA-N
MW183.29 g/mol
LogP1.49
Rot. Bonds1

About (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol

(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol (PubChem CID 140584539) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol
PubChem CID140584539
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol
SMILESCN1C[C@H](C2CCCCC2)[C@@H](O)C1
InChIInChI=1S/C11H21NO/c1-12-7-10(11(13)8-12)9-5-3-2-4-6-9/h9-11,13H,2-8H2,1H3/t10-,11+/m1/s1
InChIKeyNTRKUKDMJJYRAG-MNOVXSKESA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol (CID 140584539) is (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol is CN1C[C@H](C2CCCCC2)[C@@H](O)C1.
What is the InChIKey of (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol?
The InChIKey is NTRKUKDMJJYRAG-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c1-12-7-10(11(13)8-12)9-5-3-2-4-6-9/h9-11,13H,2-8H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol?
(3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol has a molecular weight of 183.29 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-cyclohexyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 140584539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).