[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone

C14H25NO2 — CID 102737904

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(C)C2CO)CC1
InChIInChI=1S/C14H25NO2/c1-10-3-5-12(6-4-10)14(17)15-8-7-11(2)13(15)9-16/h10-13,16H,3-9H2,1-2H3
InChIKeyVTXIHXZDCWCXAD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.04
Rot. Bonds2

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone (PubChem CID 102737904) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
PubChem CID102737904
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(C)C2CO)CC1
InChIInChI=1S/C14H25NO2/c1-10-3-5-12(6-4-10)14(17)15-8-7-11(2)13(15)9-16/h10-13,16H,3-9H2,1-2H3
InChIKeyVTXIHXZDCWCXAD-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone (CID 102737904) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC(C)C2CO)CC1.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is VTXIHXZDCWCXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-3-5-12(6-4-10)14(17)15-8-7-11(2)13(15)9-16/h10-13,16H,3-9H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 102737904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).