[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C17H22ClNO2 — CID 102785318

IUPAC[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1CO
InChIInChI=1S/C17H22ClNO2/c1-12-6-9-19(15(12)11-20)16(21)17(7-3-8-17)13-4-2-5-14(18)10-13/h2,4-5,10,12,15,20H,3,6-9,11H2,1H3
InChIKeyXUGDBQMPFVMALC-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.99
Rot. Bonds3

About [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102785318) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102785318
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1CO
InChIInChI=1S/C17H22ClNO2/c1-12-6-9-19(15(12)11-20)16(21)17(7-3-8-17)13-4-2-5-14(18)10-13/h2,4-5,10,12,15,20H,3,6-9,11H2,1H3
InChIKeyXUGDBQMPFVMALC-UHFFFAOYSA-N
XLogP2.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chlorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 134018025
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 102787129
[1-(3-chlorophenyl)cyclohexyl]-(4-methoxypiperidin-1-yl)methanone
CID 134048238
[1-(3-chlorophenyl)cyclohexyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111560944
[1-(3-chlorophenyl)cyclopropyl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023604
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
2-[(3-chlorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102785794
[1-(3-chlorophenyl)cyclopentyl]-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119638687
[1-(3-chlorophenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 119401673
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-chlorophenyl)cyclopentyl]methanone
CID 119486633
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
2-(2,5-dichlorophenyl)sulfanyl-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102785345

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102785318) is [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1CO.
What is the InChIKey of [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is XUGDBQMPFVMALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12-6-9-19(15(12)11-20)16(21)17(7-3-8-17)13-4-2-5-14(18)10-13/h2,4-5,10,12,15,20H,3,6-9,11H2,1H3.
What are the key properties of [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
[1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 307.82 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)cyclobutyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102785318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).