1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione

C15H20N2O2 — CID 177057058

IUPAC1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione
SMILESCC1C=C(C(C)C)C=CC(N2CCC(=O)NC2=O)=C1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-5-13(9-11(3)8-12)17-7-6-14(18)16-15(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,16,18,19)
InChIKeyBARZIOHLCPTHMU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione

1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione (PubChem CID 177057058) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione
PubChem CID177057058
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione
SMILESCC1C=C(C(C)C)C=CC(N2CCC(=O)NC2=O)=C1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-5-13(9-11(3)8-12)17-7-6-14(18)16-15(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,16,18,19)
InChIKeyBARZIOHLCPTHMU-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione (CID 177057058) is 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione is CC1C=C(C(C)C)C=CC(N2CCC(=O)NC2=O)=C1.
What is the InChIKey of 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione?
The InChIKey is BARZIOHLCPTHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12-4-5-13(9-11(3)8-12)17-7-6-14(18)16-15(17)19/h4-5,8-11H,6-7H2,1-3H3,(H,16,18,19).
What are the key properties of 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione?
1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione has a molecular weight of 260.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177057058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).