6-(cyclobutylmethoxy)phthalazine-1,4-dione

C13H12N2O3 — CID 163203937

IUPAC6-(cyclobutylmethoxy)phthalazine-1,4-dione
SMILESO=C1N=NC(=O)c2cc(OCC3CCC3)ccc21
InChIInChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2
InChIKeyNWOORGOMYQAWAE-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.61
Rot. Bonds3

About 6-(cyclobutylmethoxy)phthalazine-1,4-dione

6-(cyclobutylmethoxy)phthalazine-1,4-dione (PubChem CID 163203937) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(cyclobutylmethoxy)phthalazine-1,4-dione.

Molecular Properties

Compound Name6-(cyclobutylmethoxy)phthalazine-1,4-dione
PubChem CID163203937
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(cyclobutylmethoxy)phthalazine-1,4-dione
SMILESO=C1N=NC(=O)c2cc(OCC3CCC3)ccc21
InChIInChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2
InChIKeyNWOORGOMYQAWAE-UHFFFAOYSA-N
XLogP2.61
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
3-(cycloheptylmethoxy)benzaldehyde
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4-(cyclopentylmethoxy)benzenesulfonyl chloride
CID 61343179
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
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CID 115076292
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
4-(cyclohexylmethoxy)-2-(trifluoromethyl)benzaldehyde
CID 175665804
4-(cyclohexylmethoxy)pyridine-2-carboxylic acid
CID 62382036
5-(cyclopropylmethoxy)-2-(6-methyl-3-pyridinyl)benzaldehyde
CID 172651486
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422

Frequently Asked Questions

What is the IUPAC name of 6-(cyclobutylmethoxy)phthalazine-1,4-dione?
The IUPAC name of 6-(cyclobutylmethoxy)phthalazine-1,4-dione (CID 163203937) is 6-(cyclobutylmethoxy)phthalazine-1,4-dione.
What is the SMILES notation for 6-(cyclobutylmethoxy)phthalazine-1,4-dione?
The canonical SMILES for 6-(cyclobutylmethoxy)phthalazine-1,4-dione is O=C1N=NC(=O)c2cc(OCC3CCC3)ccc21.
What is the InChIKey of 6-(cyclobutylmethoxy)phthalazine-1,4-dione?
The InChIKey is NWOORGOMYQAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-12-10-5-4-9(18-7-8-2-1-3-8)6-11(10)13(17)15-14-12/h4-6,8H,1-3,7H2.
What are the key properties of 6-(cyclobutylmethoxy)phthalazine-1,4-dione?
6-(cyclobutylmethoxy)phthalazine-1,4-dione has a molecular weight of 244.25 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobutylmethoxy)phthalazine-1,4-dione is sourced from PubChem (CID 163203937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).