2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

C14H25NO2 — CID 70237402

IUPAC2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(CO)CC1CCCCC1)N1CCCC1
InChIInChI=1S/C14H25NO2/c16-11-13(10-12-6-2-1-3-7-12)14(17)15-8-4-5-9-15/h12-13,16H,1-11H2
InChIKeyFMPHRCAHPRKGRX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds4

About 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one

2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 70237402) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
PubChem CID70237402
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(CO)CC1CCCCC1)N1CCCC1
InChIInChI=1S/C14H25NO2/c16-11-13(10-12-6-2-1-3-7-12)14(17)15-8-4-5-9-15/h12-13,16H,1-11H2
InChIKeyFMPHRCAHPRKGRX-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one (CID 70237402) is 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is O=C(C(CO)CC1CCCCC1)N1CCCC1.
What is the InChIKey of 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FMPHRCAHPRKGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-11-13(10-12-6-2-1-3-7-12)14(17)15-8-4-5-9-15/h12-13,16H,1-11H2.
What are the key properties of 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one?
2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 239.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 70237402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).