1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea

C14H19N3O2 — CID 53014861

IUPAC1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-9-6-10(2)8-11(7-9)17-5-4-12(13(17)18)16-14(19)15-3/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
InChIKeyRWKSKZFNNJXMNI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.34
Rot. Bonds2

About 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea

1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea (PubChem CID 53014861) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
PubChem CID53014861
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O
InChIInChI=1S/C14H19N3O2/c1-9-6-10(2)8-11(7-9)17-5-4-12(13(17)18)16-14(19)15-3/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19)
InChIKeyRWKSKZFNNJXMNI-UHFFFAOYSA-N
XLogP1.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea (CID 53014861) is 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea is CNC(=O)NC1CCN(c2cc(C)cc(C)c2)C1=O.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea?
The InChIKey is RWKSKZFNNJXMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-10(2)8-11(7-9)17-5-4-12(13(17)18)16-14(19)15-3/h6-8,12H,4-5H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea?
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea has a molecular weight of 261.32 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-methylurea is sourced from PubChem (CID 53014861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).