6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one

C18H18N2O — CID 91546187

IUPAC6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one
SMILESCc1ccc2c(c1)C(=O)C1(CCc3cnncc3CC1)C2
InChIInChI=1S/C18H18N2O/c1-12-2-3-13-9-18(17(21)16(13)8-12)6-4-14-10-19-20-11-15(14)5-7-18/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyARVQPQYRLYJNNZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.09
Rot. Bonds

About 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one

6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one (PubChem CID 91546187) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one.

Molecular Properties

Compound Name6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one
PubChem CID91546187
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one
SMILESCc1ccc2c(c1)C(=O)C1(CCc3cnncc3CC1)C2
InChIInChI=1S/C18H18N2O/c1-12-2-3-13-9-18(17(21)16(13)8-12)6-4-14-10-19-20-11-15(14)5-7-18/h2-3,8,10-11H,4-7,9H2,1H3
InChIKeyARVQPQYRLYJNNZ-UHFFFAOYSA-N
XLogP3.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one?
The IUPAC name of 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one (CID 91546187) is 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one.
What is the SMILES notation for 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one?
The canonical SMILES for 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one is Cc1ccc2c(c1)C(=O)C1(CCc3cnncc3CC1)C2.
What is the InChIKey of 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one?
The InChIKey is ARVQPQYRLYJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-12-2-3-13-9-18(17(21)16(13)8-12)6-4-14-10-19-20-11-15(14)5-7-18/h2-3,8,10-11H,4-7,9H2,1H3.
What are the key properties of 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one?
6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[3H-indene-2,7'-5,6,8,9-tetrahydrocyclohepta[d]pyridazine]-1-one is sourced from PubChem (CID 91546187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).