6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one

C19H17NO — CID 3689963

IUPAC6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one
SMILESCC1(C)Cc2ccccc2C2=Nc3ccccc3C(=O)C21
InChIInChI=1S/C19H17NO/c1-19(2)11-12-7-3-4-8-13(12)17-16(19)18(21)14-9-5-6-10-15(14)20-17/h3-10,16H,11H2,1-2H3
InChIKeyFADAPAVDGQCSOH-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.20
Rot. Bonds

About 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one

6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one (PubChem CID 3689963) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one.

Molecular Properties

Compound Name6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one
PubChem CID3689963
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one
SMILESCC1(C)Cc2ccccc2C2=Nc3ccccc3C(=O)C21
InChIInChI=1S/C19H17NO/c1-19(2)11-12-7-3-4-8-13(12)17-16(19)18(21)14-9-5-6-10-15(14)20-17/h3-10,16H,11H2,1-2H3
InChIKeyFADAPAVDGQCSOH-UHFFFAOYSA-N
XLogP4.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one?
The IUPAC name of 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one (CID 3689963) is 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one.
What is the SMILES notation for 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one?
The canonical SMILES for 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one is CC1(C)Cc2ccccc2C2=Nc3ccccc3C(=O)C21.
What is the InChIKey of 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one?
The InChIKey is FADAPAVDGQCSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-19(2)11-12-7-3-4-8-13(12)17-16(19)18(21)14-9-5-6-10-15(14)20-17/h3-10,16H,11H2,1-2H3.
What are the key properties of 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one?
6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one has a molecular weight of 275.35 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5,6a-dihydrobenzo[c]acridin-7-one is sourced from PubChem (CID 3689963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).