(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one

C17H19NO2 — CID 102421534

IUPAC(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one
SMILESCC(C)[C@@H](O)[C@H]1C=Cc2c(c(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C17H19NO2/c1-10(2)16(19)11-7-8-12-13-5-3-4-6-15(13)18-17(20)14(12)9-11/h3-8,10-11,16,19H,9H2,1-2H3,(H,18,20)/t11-,16+/m0/s1
InChIKeyUYUAOAAQXSXGHY-MEDUHNTESA-N
MW269.34 g/mol
LogP2.73
Rot. Bonds2

About (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one

(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one (PubChem CID 102421534) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one.

Molecular Properties

Compound Name(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one
PubChem CID102421534
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one
SMILESCC(C)[C@@H](O)[C@H]1C=Cc2c(c(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C17H19NO2/c1-10(2)16(19)11-7-8-12-13-5-3-4-6-15(13)18-17(20)14(12)9-11/h3-8,10-11,16,19H,9H2,1-2H3,(H,18,20)/t11-,16+/m0/s1
InChIKeyUYUAOAAQXSXGHY-MEDUHNTESA-N
XLogP2.73
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one with MolForge

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Related Compounds

(8R)-8-[(S)-hydroxy-(4-methoxyphenyl)methyl]-7,8-dihydro-5H-phenanthridin-6-one
CID 102421536
7,8-dihydro-5H-phenanthridin-6-one
CID 118650763
2,9-dihydro-1H-carbazol-2-ol
CID 146709603
2-(2-hydroxypropan-2-yl)-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
CID 10610359
3-hydroxy-2,3,4,6-tetrahydropyrano[3,2-c]quinolin-5-one
CID 2784056
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54684096
3-methyl-4-propan-2-yl-1H-quinolin-2-one
CID 70906749
3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
CID 3117151
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
3,4-ditert-butyl-1H-quinolin-2-one
CID 58782577
ethane;8-methyl-5,8-dihydrocyclohepta[b]indole
CID 142064594
2-propan-2-yl-5H-pyrrolo[3,4-c]quinolin-4-one
CID 67211643

Frequently Asked Questions

What is the IUPAC name of (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one?
The IUPAC name of (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one (CID 102421534) is (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one.
What is the SMILES notation for (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one?
The canonical SMILES for (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one is CC(C)[C@@H](O)[C@H]1C=Cc2c(c(=O)[nH]c3ccccc23)C1.
What is the InChIKey of (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one?
The InChIKey is UYUAOAAQXSXGHY-MEDUHNTESA-N. The full InChI is InChI=1S/C17H19NO2/c1-10(2)16(19)11-7-8-12-13-5-3-4-6-15(13)18-17(20)14(12)9-11/h3-8,10-11,16,19H,9H2,1-2H3,(H,18,20)/t11-,16+/m0/s1.
What are the key properties of (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one?
(8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one has a molecular weight of 269.34 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-[(1R)-1-hydroxy-2-methylpropyl]-7,8-dihydro-5H-phenanthridin-6-one is sourced from PubChem (CID 102421534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).