6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one

C15H24N2O3 — CID 5247543

IUPAC6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one
SMILESCC(=O)CC1(O)C(=O)C2CCCNC2C2NCCCC21
InChIInChI=1S/C15H24N2O3/c1-9(18)8-15(20)11-5-3-7-17-13(11)12-10(14(15)19)4-2-6-16-12/h10-13,16-17,20H,2-8H2,1H3
InChIKeyMEJKVGARRSQCFY-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.02
Rot. Bonds2

About 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one

6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one (PubChem CID 5247543) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one.

Molecular Properties

Compound Name6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one
PubChem CID5247543
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one
SMILESCC(=O)CC1(O)C(=O)C2CCCNC2C2NCCCC21
InChIInChI=1S/C15H24N2O3/c1-9(18)8-15(20)11-5-3-7-17-13(11)12-10(14(15)19)4-2-6-16-12/h10-13,16-17,20H,2-8H2,1H3
InChIKeyMEJKVGARRSQCFY-UHFFFAOYSA-N
XLogP0.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one?
The IUPAC name of 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one (CID 5247543) is 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one.
What is the SMILES notation for 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one?
The canonical SMILES for 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one is CC(=O)CC1(O)C(=O)C2CCCNC2C2NCCCC21.
What is the InChIKey of 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one?
The InChIKey is MEJKVGARRSQCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(18)8-15(20)11-5-3-7-17-13(11)12-10(14(15)19)4-2-6-16-12/h10-13,16-17,20H,2-8H2,1H3.
What are the key properties of 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one?
6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one has a molecular weight of 280.37 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-(2-oxopropyl)-1,2,3,4,4a,6a,7,8,9,10,10a,10b-dodecahydro-1,10-phenanthrolin-5-one is sourced from PubChem (CID 5247543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).