[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone

C14H25NO2 — CID 115775330

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(CCO)C2)CC1
InChIInChI=1S/C14H25NO2/c1-11-2-4-13(5-3-11)14(17)15-8-6-12(10-15)7-9-16/h11-13,16H,2-10H2,1H3
InChIKeyYMKADFMZXAHIMW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.04
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone (PubChem CID 115775330) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
PubChem CID115775330
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)N2CCC(CCO)C2)CC1
InChIInChI=1S/C14H25NO2/c1-11-2-4-13(5-3-11)14(17)15-8-6-12(10-15)7-9-16/h11-13,16H,2-10H2,1H3
InChIKeyYMKADFMZXAHIMW-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone (CID 115775330) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)N2CCC(CCO)C2)CC1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
The InChIKey is YMKADFMZXAHIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-2-4-13(5-3-11)14(17)15-8-6-12(10-15)7-9-16/h11-13,16H,2-10H2,1H3.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 115775330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).