ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one

C20H33NO — CID 162282668

IUPACethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
SMILESCC.CC(C)N1C(=O)C2CCCC2c2ccccc21.CCC
InChIInChI=1S/C15H19NO.C3H8.C2H6/c1-10(2)16-14-9-4-3-6-12(14)11-7-5-8-13(11)15(16)17;1-3-2;1-2/h3-4,6,9-11,13H,5,7-8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyADNKRGXYSXGFSG-UHFFFAOYSA-N
MW303.49 g/mol
LogP5.77
Rot. Bonds1

About ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one

ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one (PubChem CID 162282668) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one.

Molecular Properties

Compound Nameethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
PubChem CID162282668
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Nameethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one
SMILESCC.CC(C)N1C(=O)C2CCCC2c2ccccc21.CCC
InChIInChI=1S/C15H19NO.C3H8.C2H6/c1-10(2)16-14-9-4-3-6-12(14)11-7-5-8-13(11)15(16)17;1-3-2;1-2/h3-4,6,9-11,13H,5,7-8H2,1-2H3;3H2,1-2H3;1-2H3
InChIKeyADNKRGXYSXGFSG-UHFFFAOYSA-N
XLogP5.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one with MolForge

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Related Compounds

(4R)-4-phenyl-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 124507823
7-methyl-5-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780327
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
N-[2-(diethylamino)ethyl]-N'-[(3S)-2-oxo-1-propan-2-yl-3H-indol-3-yl]oxamide
CID 40961537
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632
3-(2-methylbut-3-en-2-yloxy)-1-propan-2-yl-3H-indol-2-one
CID 122371979
2-[2-(methylaminomethyl)phenyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980065
2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine
CID 129383600
2-(1-hydroxy-3-methylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 73110572
2-(1-amino-3-methylbutan-2-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980108
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513812
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanoic acid
CID 103979257

Frequently Asked Questions

What is the IUPAC name of ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
The IUPAC name of ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one (CID 162282668) is ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one.
What is the SMILES notation for ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
The canonical SMILES for ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one is CC.CC(C)N1C(=O)C2CCCC2c2ccccc21.CCC.
What is the InChIKey of ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
The InChIKey is ADNKRGXYSXGFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C3H8.C2H6/c1-10(2)16-14-9-4-3-6-12(14)11-7-5-8-13(11)15(16)17;1-3-2;1-2/h3-4,6,9-11,13H,5,7-8H2,1-2H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one?
ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one has a molecular weight of 303.49 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;5-propan-2-yl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-one is sourced from PubChem (CID 162282668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).