1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea

C11H18N2O — CID 70153898

IUPAC1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea
SMILESCC1=CCC(N(C)C(=O)N(C)C)=C1C
InChIInChI=1S/C11H18N2O/c1-8-6-7-10(9(8)2)13(5)11(14)12(3)4/h6H,7H2,1-5H3
InChIKeyCJUZQAJBTWQKIL-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.22
Rot. Bonds1

About 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea

1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea (PubChem CID 70153898) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea
PubChem CID70153898
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea
SMILESCC1=CCC(N(C)C(=O)N(C)C)=C1C
InChIInChI=1S/C11H18N2O/c1-8-6-7-10(9(8)2)13(5)11(14)12(3)4/h6H,7H2,1-5H3
InChIKeyCJUZQAJBTWQKIL-UHFFFAOYSA-N
XLogP2.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea?
The IUPAC name of 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea (CID 70153898) is 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea.
What is the SMILES notation for 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea?
The canonical SMILES for 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea is CC1=CCC(N(C)C(=O)N(C)C)=C1C.
What is the InChIKey of 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea?
The InChIKey is CJUZQAJBTWQKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8-6-7-10(9(8)2)13(5)11(14)12(3)4/h6H,7H2,1-5H3.
What are the key properties of 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea?
1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea has a molecular weight of 194.28 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclopenta-1,3-dien-1-yl)-1,3,3-trimethylurea is sourced from PubChem (CID 70153898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).