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

C14H25NO2 — CID 105081761

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC(O)C1CCN(C(=O)C2(C)CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11(16)12-6-9-15(10-12)13(17)14(2)7-4-3-5-8-14/h11-12,16H,3-10H2,1-2H3
InChIKeyBONWDENIHLSMMT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.19
Rot. Bonds2

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

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone (PubChem CID 105081761) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
PubChem CID105081761
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone
SMILESCC(O)C1CCN(C(=O)C2(C)CCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11(16)12-6-9-15(10-12)13(17)14(2)7-4-3-5-8-14/h11-12,16H,3-10H2,1-2H3
InChIKeyBONWDENIHLSMMT-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone (CID 105081761) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone is CC(O)C1CCN(C(=O)C2(C)CCCCC2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone?
The InChIKey is BONWDENIHLSMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(16)12-6-9-15(10-12)13(17)14(2)7-4-3-5-8-14/h11-12,16H,3-10H2,1-2H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-methylcyclohexyl)methanone is sourced from PubChem (CID 105081761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).