1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride

C15H22ClNO — CID 171323393

IUPAC1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCc1ccc(C(=O)C(C)N2CCCC2)c(C)c1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-11-6-7-14(12(2)10-11)15(17)13(3)16-8-4-5-9-16;/h6-7,10,13H,4-5,8-9H2,1-3H3;1H
InChIKeyNBIVQDNXCSHYQN-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.39
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride

1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride (PubChem CID 171323393) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
PubChem CID171323393
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
SMILESCc1ccc(C(=O)C(C)N2CCCC2)c(C)c1.Cl
InChIInChI=1S/C15H21NO.ClH/c1-11-6-7-14(12(2)10-11)15(17)13(3)16-8-4-5-9-16;/h6-7,10,13H,4-5,8-9H2,1-3H3;1H
InChIKeyNBIVQDNXCSHYQN-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423
1-(2,3-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 137331652
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60680696
(2,4-dimethylphenyl)-pyrazolidin-1-ylmethanone;hydrochloride
CID 86785444
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
1-phenyl-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 21114962
4-(2,4-dimethylphenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414229
1-(2,5-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62974335
1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960650
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylphenyl)propan-1-one
CID 115560638

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride (CID 171323393) is 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride is Cc1ccc(C(=O)C(C)N2CCCC2)c(C)c1.Cl.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
The InChIKey is NBIVQDNXCSHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO.ClH/c1-11-6-7-14(12(2)10-11)15(17)13(3)16-8-4-5-9-16;/h6-7,10,13H,4-5,8-9H2,1-3H3;1H.
What are the key properties of 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride?
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride has a molecular weight of 267.80 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 171323393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).