1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one

C14H19NO — CID 117309875

IUPAC1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)ccc1N1CCCC1
InChIInChI=1S/C14H19NO/c1-11-5-6-14(15-7-3-4-8-15)13(9-11)10-12(2)16/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyYRUADNFLPXUUQN-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.73
Rot. Bonds3

About 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one

1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one (PubChem CID 117309875) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
PubChem CID117309875
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(C)ccc1N1CCCC1
InChIInChI=1S/C14H19NO/c1-11-5-6-14(15-7-3-4-8-15)13(9-11)10-12(2)16/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyYRUADNFLPXUUQN-UHFFFAOYSA-N
XLogP2.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
3-(5-methyl-2-piperidin-1-ylphenyl)propanal
CID 117335122
2-(5-methyl-2-piperidin-1-ylphenyl)ethanol
CID 117313218
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
1-(5-methyl-2-piperidin-1-ylphenyl)propan-2-ol
CID 117339203
[2-(azetidin-1-yl)-5-methylphenyl]methanamine
CID 126980462
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
1-[(5-methyl-2-piperidin-1-ylphenyl)methyl]cyclopropan-1-amine
CID 117363499
1-(3-bromo-4-pyrrolidin-1-ylphenyl)propan-2-one
CID 117453199
1-(2-ethyl-4-methylphenyl)-4-methylpiperazine
CID 70652133
1-(4-methyl-2-prop-1-en-2-ylphenyl)pyrrolidine
CID 145007823
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one?
The IUPAC name of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one (CID 117309875) is 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one.
What is the SMILES notation for 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one?
The canonical SMILES for 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one is CC(=O)Cc1cc(C)ccc1N1CCCC1.
What is the InChIKey of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one?
The InChIKey is YRUADNFLPXUUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-5-6-14(15-7-3-4-8-15)13(9-11)10-12(2)16/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one?
1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyrrolidin-1-ylphenyl)propan-2-one is sourced from PubChem (CID 117309875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).