3,5,5-trimethylcyclohex-2-en-1-one;urea

C10H18N2O2 — CID 21282221

IUPAC3,5,5-trimethylcyclohex-2-en-1-one;urea
SMILESCC1=CC(=O)CC(C)(C)C1.NC(N)=O
InChIInChI=1S/C9H14O.CH4N2O/c1-7-4-8(10)6-9(2,3)5-7;2-1(3)4/h4H,5-6H2,1-3H3;(H4,2,3,4)
InChIKeyLXYNBUKRPHFJRY-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.35
Rot. Bonds

About 3,5,5-trimethylcyclohex-2-en-1-one;urea

3,5,5-trimethylcyclohex-2-en-1-one;urea (PubChem CID 21282221) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3,5,5-trimethylcyclohex-2-en-1-one;urea.

Molecular Properties

Compound Name3,5,5-trimethylcyclohex-2-en-1-one;urea
PubChem CID21282221
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3,5,5-trimethylcyclohex-2-en-1-one;urea
SMILESCC1=CC(=O)CC(C)(C)C1.NC(N)=O
InChIInChI=1S/C9H14O.CH4N2O/c1-7-4-8(10)6-9(2,3)5-7;2-1(3)4/h4H,5-6H2,1-3H3;(H4,2,3,4)
InChIKeyLXYNBUKRPHFJRY-UHFFFAOYSA-N
XLogP1.35
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethylcyclohex-2-en-1-one;urea?
The IUPAC name of 3,5,5-trimethylcyclohex-2-en-1-one;urea (CID 21282221) is 3,5,5-trimethylcyclohex-2-en-1-one;urea.
What is the SMILES notation for 3,5,5-trimethylcyclohex-2-en-1-one;urea?
The canonical SMILES for 3,5,5-trimethylcyclohex-2-en-1-one;urea is CC1=CC(=O)CC(C)(C)C1.NC(N)=O.
What is the InChIKey of 3,5,5-trimethylcyclohex-2-en-1-one;urea?
The InChIKey is LXYNBUKRPHFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.CH4N2O/c1-7-4-8(10)6-9(2,3)5-7;2-1(3)4/h4H,5-6H2,1-3H3;(H4,2,3,4).
What are the key properties of 3,5,5-trimethylcyclohex-2-en-1-one;urea?
3,5,5-trimethylcyclohex-2-en-1-one;urea has a molecular weight of 198.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylcyclohex-2-en-1-one;urea is sourced from PubChem (CID 21282221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).