ethane;1-(3-methylphenyl)pyrrolidin-3-ol

C13H21NO — CID 168922938

IUPACethane;1-(3-methylphenyl)pyrrolidin-3-ol
SMILESCC.Cc1cccc(N2CCC(O)C2)c1
InChIInChI=1S/C11H15NO.C2H6/c1-9-3-2-4-10(7-9)12-6-5-11(13)8-12;1-2/h2-4,7,11,13H,5-6,8H2,1H3;1-2H3
InChIKeyFSVVNYBMPXXRRA-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.59
Rot. Bonds1

About ethane;1-(3-methylphenyl)pyrrolidin-3-ol

ethane;1-(3-methylphenyl)pyrrolidin-3-ol (PubChem CID 168922938) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;1-(3-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-(3-methylphenyl)pyrrolidin-3-ol
PubChem CID168922938
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;1-(3-methylphenyl)pyrrolidin-3-ol
SMILESCC.Cc1cccc(N2CCC(O)C2)c1
InChIInChI=1S/C11H15NO.C2H6/c1-9-3-2-4-10(7-9)12-6-5-11(13)8-12;1-2/h2-4,7,11,13H,5-6,8H2,1H3;1-2H3
InChIKeyFSVVNYBMPXXRRA-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-hydroxyphenyl)pyrrolidin-3-ol
CID 90894280
1-phenylpyrrolidin-3-ol
CID 11171152
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926
ethane;1-(3-fluorophenyl)piperidin-3-ol
CID 171539689
4,4-dimethyl-1-(3-methylphenyl)piperidin-3-ol
CID 117025087
1-(3-nitrophenyl)pyrrolidin-3-ol
CID 62917312
1-(3-methyl-4-nitrophenyl)pyrrolidin-3-ol
CID 22320998
1-[6-(3-methylphenyl)pyridazin-3-yl]pyrrolidin-3-ol
CID 56770780
1-(3-methylphenyl)-3-(2-methylpyrrolidin-1-yl)pyrrolidine
CID 141288740
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
(3R)-1-[3-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 142478102

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-(3-methylphenyl)pyrrolidin-3-ol (CID 168922938) is ethane;1-(3-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-(3-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-(3-methylphenyl)pyrrolidin-3-ol is CC.Cc1cccc(N2CCC(O)C2)c1.
What is the InChIKey of ethane;1-(3-methylphenyl)pyrrolidin-3-ol?
The InChIKey is FSVVNYBMPXXRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-9-3-2-4-10(7-9)12-6-5-11(13)8-12;1-2/h2-4,7,11,13H,5-6,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-methylphenyl)pyrrolidin-3-ol?
ethane;1-(3-methylphenyl)pyrrolidin-3-ol has a molecular weight of 207.32 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 168922938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).