ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone

C15H23NO — CID 156853457

IUPACethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCC.Cc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C13H17NO.C2H6/c1-11-4-6-12(7-5-11)13(15)10-14-8-2-3-9-14;1-2/h4-7H,2-3,8-10H2,1H3;1-2H3
InChIKeyUSKQPSSFDQXLKE-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.30
Rot. Bonds3

About ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone

ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 156853457) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID156853457
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nameethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCC.Cc1ccc(C(=O)CN2CCCC2)cc1
InChIInChI=1S/C13H17NO.C2H6/c1-11-4-6-12(7-5-11)13(15)10-14-8-2-3-9-14;1-2/h4-7H,2-3,8-10H2,1H3;1-2H3
InChIKeyUSKQPSSFDQXLKE-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
1-(4-methylphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanone
CID 51363194
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(4-fluorophenyl)-2-pyrrolidin-1-ylethanone;hydrochloride
CID 13302047
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(4-methylphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170265
1-[4-(chloromethyl)phenyl]-2-pyrrolidin-1-ylethanone
CID 154989452
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-[4-(diethylamino)phenyl]-2-piperidin-1-ylethanone
CID 93193971

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone (CID 156853457) is ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone is CC.Cc1ccc(C(=O)CN2CCCC2)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is USKQPSSFDQXLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C2H6/c1-11-4-6-12(7-5-11)13(15)10-14-8-2-3-9-14;1-2/h4-7H,2-3,8-10H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone?
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 233.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 156853457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).