1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone

C16H23NO — CID 116570100

IUPAC1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2(C)CCNC2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)14-6-4-13(5-7-14)10-15(18)16(3)8-9-17-11-16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyJAIOOWWXTPDMKX-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.92
Rot. Bonds4

About 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone

1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 116570100) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID116570100
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(CC(=O)C2(C)CCNC2)cc1
InChIInChI=1S/C16H23NO/c1-12(2)14-6-4-13(5-7-14)10-15(18)16(3)8-9-17-11-16/h4-7,12,17H,8-11H2,1-3H3
InChIKeyJAIOOWWXTPDMKX-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
1-(2-methylpiperidin-2-yl)-2-(4-propan-2-ylphenyl)ethanone
CID 116614195
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
2-(3-fluoro-4-methoxyphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116569863
N,3-dimethyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 63131135
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylpyrrolidine-3-carboxamide
CID 63141440
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
2-(2,5-dimethylphenyl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570098
1-(3-methylpyrrolidin-3-yl)-2-thiophen-2-ylethanone
CID 116569911
2-(5-ethylthiophen-2-yl)-1-(3-methylpyrrolidin-3-yl)ethanone
CID 116570139
2-(4-methylphenyl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982093

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone (CID 116570100) is 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(CC(=O)C2(C)CCNC2)cc1.
What is the InChIKey of 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is JAIOOWWXTPDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12(2)14-6-4-13(5-7-14)10-15(18)16(3)8-9-17-11-16/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone?
1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidin-3-yl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 116570100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).