5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one

C15H19NO — CID 19960946

IUPAC5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one
SMILESCN1Cc2ccccc2C2(C)CCC(=O)CC12
InChIInChI=1S/C15H19NO/c1-15-8-7-12(17)9-14(15)16(2)10-11-5-3-4-6-13(11)15/h3-6,14H,7-10H2,1-2H3
InChIKeyUMQKGQPYGIUARQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.51
Rot. Bonds

About 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one

5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one (PubChem CID 19960946) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one.

Molecular Properties

Compound Name5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one
PubChem CID19960946
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one
SMILESCN1Cc2ccccc2C2(C)CCC(=O)CC12
InChIInChI=1S/C15H19NO/c1-15-8-7-12(17)9-14(15)16(2)10-11-5-3-4-6-13(11)15/h3-6,14H,7-10H2,1-2H3
InChIKeyUMQKGQPYGIUARQ-UHFFFAOYSA-N
XLogP2.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one?
The IUPAC name of 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one (CID 19960946) is 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one.
What is the SMILES notation for 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one?
The canonical SMILES for 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one is CN1Cc2ccccc2C2(C)CCC(=O)CC12.
What is the InChIKey of 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one?
The InChIKey is UMQKGQPYGIUARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15-8-7-12(17)9-14(15)16(2)10-11-5-3-4-6-13(11)15/h3-6,14H,7-10H2,1-2H3.
What are the key properties of 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one?
5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one has a molecular weight of 229.32 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one is sourced from PubChem (CID 19960946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).