[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone

C15H19NO3 — CID 83959561

IUPAC[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCC1(c2ccc(C(=O)N3CCCC3)cc2)OCCO1
InChIInChI=1S/C15H19NO3/c1-15(18-10-11-19-15)13-6-4-12(5-7-13)14(17)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3
InChIKeyMLHXHVXRAPGJJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.14
Rot. Bonds2

About [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 83959561) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID83959561
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESCC1(c2ccc(C(=O)N3CCCC3)cc2)OCCO1
InChIInChI=1S/C15H19NO3/c1-15(18-10-11-19-15)13-6-4-12(5-7-13)14(17)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3
InChIKeyMLHXHVXRAPGJJV-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ethanone
CID 10845946
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 34227959
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-iodophenyl)-piperidin-1-ylmethanone
CID 5149204
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(1-methylpyridin-1-ium-4-yl)-piperidin-1-ylmethanone iodide
CID 21176229
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 83959561) is [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone is CC1(c2ccc(C(=O)N3CCCC3)cc2)OCCO1.
What is the InChIKey of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is MLHXHVXRAPGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-15(18-10-11-19-15)13-6-4-12(5-7-13)14(17)16-8-2-3-9-16/h4-7H,2-3,8-11H2,1H3.
What are the key properties of [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 261.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 83959561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).