1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione

C15H18O2 — CID 15478917

IUPAC1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione
SMILESC=C(C)C1CC(=O)C(C)=C2CC(=O)C(C)=C2C1
InChIInChI=1S/C15H18O2/c1-8(2)11-5-12-9(3)15(17)7-13(12)10(4)14(16)6-11/h11H,1,5-7H2,2-4H3
InChIKeyUYMHDKPGFDYSRZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.15
Rot. Bonds1

About 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione

1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione (PubChem CID 15478917) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione.

Molecular Properties

Compound Name1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione
PubChem CID15478917
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione
SMILESC=C(C)C1CC(=O)C(C)=C2CC(=O)C(C)=C2C1
InChIInChI=1S/C15H18O2/c1-8(2)11-5-12-9(3)15(17)7-13(12)10(4)14(16)6-11/h11H,1,5-7H2,2-4H3
InChIKeyUYMHDKPGFDYSRZ-UHFFFAOYSA-N
XLogP3.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione?
The IUPAC name of 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione (CID 15478917) is 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione.
What is the SMILES notation for 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione?
The canonical SMILES for 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione is C=C(C)C1CC(=O)C(C)=C2CC(=O)C(C)=C2C1.
What is the InChIKey of 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione?
The InChIKey is UYMHDKPGFDYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-8(2)11-5-12-9(3)15(17)7-13(12)10(4)14(16)6-11/h11H,1,5-7H2,2-4H3.
What are the key properties of 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione?
1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione has a molecular weight of 230.31 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-prop-1-en-2-yl-3,6,7,8-tetrahydroazulene-2,5-dione is sourced from PubChem (CID 15478917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).