(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane

C15H23NO — CID 143994279

IUPAC(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
SMILESCCC.Cc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO.C3H8/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13;1-3-2/h4-7H,2-3,8-9H2,1H3;3H2,1-2H3
InChIKeyAGHOWYTYUKVKBW-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.65
Rot. Bonds1

About (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane

(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane (PubChem CID 143994279) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane.

Molecular Properties

Compound Name(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
PubChem CID143994279
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
SMILESCCC.Cc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C12H15NO.C3H8/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13;1-3-2/h4-7H,2-3,8-9H2,1H3;3H2,1-2H3
InChIKeyAGHOWYTYUKVKBW-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-methylphenyl)-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798290
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
1-(azepan-1-yl)-2-[1-(4-methylbenzoyl)piperidin-4-yl]ethanone
CID 46295023
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
1-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110422476
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
2-(4-methylphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 6468250
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane?
The IUPAC name of (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane (CID 143994279) is (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane.
What is the SMILES notation for (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane?
The canonical SMILES for (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane is CCC.Cc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane?
The InChIKey is AGHOWYTYUKVKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C3H8/c1-10-4-6-11(7-5-10)12(14)13-8-2-3-9-13;1-3-2/h4-7H,2-3,8-9H2,1H3;3H2,1-2H3.
What are the key properties of (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane?
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane has a molecular weight of 233.35 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-pyrrolidin-1-ylmethanone;propane is sourced from PubChem (CID 143994279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).