1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione

C14H22N2O2 — CID 79777687

IUPAC1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione
SMILESCC12CCC(C1)C(C)(C)C2N1CCC(=O)NC1=O
InChIInChI=1S/C14H22N2O2/c1-13(2)9-4-6-14(3,8-9)11(13)16-7-5-10(17)15-12(16)18/h9,11H,4-8H2,1-3H3,(H,15,17,18)
InChIKeySQKAEWSVYDTQRR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.14
Rot. Bonds1

About 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione

1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione (PubChem CID 79777687) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione
PubChem CID79777687
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione
SMILESCC12CCC(C1)C(C)(C)C2N1CCC(=O)NC1=O
InChIInChI=1S/C14H22N2O2/c1-13(2)9-4-6-14(3,8-9)11(13)16-7-5-10(17)15-12(16)18/h9,11H,4-8H2,1-3H3,(H,15,17,18)
InChIKeySQKAEWSVYDTQRR-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione (CID 79777687) is 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione is CC12CCC(C1)C(C)(C)C2N1CCC(=O)NC1=O.
What is the InChIKey of 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione?
The InChIKey is SQKAEWSVYDTQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2)9-4-6-14(3,8-9)11(13)16-7-5-10(17)15-12(16)18/h9,11H,4-8H2,1-3H3,(H,15,17,18).
What are the key properties of 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione?
1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione has a molecular weight of 250.34 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).