(4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one

C13H15NO — CID 93476786

IUPAC(4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one
SMILESCN1c2ccccc2[C@@H]2C(=O)CCC[C@@H]21
InChIInChI=1S/C13H15NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6,11,13H,4,7-8H2,1H3/t11-,13-/m0/s1
InChIKeyMOVJGLJCNVYGBE-AAEUAGOBSA-N
MW201.27 g/mol
LogP2.34
Rot. Bonds

About (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one

(4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one (PubChem CID 93476786) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one.

Molecular Properties

Compound Name(4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one
PubChem CID93476786
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one
SMILESCN1c2ccccc2[C@@H]2C(=O)CCC[C@@H]21
InChIInChI=1S/C13H15NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6,11,13H,4,7-8H2,1H3/t11-,13-/m0/s1
InChIKeyMOVJGLJCNVYGBE-AAEUAGOBSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-cyclohexyl-1-methyl-3H-indol-2-one
CID 135061670
9-methyl-1,2,3,4,4a,9a-hexahydrocarbazol-3-amine
CID 83832116
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
2,3-diphenylcyclododecane-1,4-dione
CID 101032541
5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole;dihydrochloride
CID 146675581
(4aS,9aS)-2,3,4,4a,9,9a-hexahydrocarbazol-1-one
CID 98116106
tricyclo[5.4.0.02,6]undeca-1(11),7,9-trien-3-one
CID 130027584
3-hydroxy-1-methyl-3-(2-oxocyclopentyl)indol-2-one
CID 10399607
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]cyclopentan-1-one
CID 63778059
2-(5-acetyl-6H-phenanthridin-6-yl)cyclopentan-1-one
CID 23118687
1,3-dimethyl-4-phenyl-3,4-dihydroquinolin-2-one
CID 20689381
(4bR,10S,10aS)-5-methyl-10-phenyl-4b,10,10a,11-tetrahydroindeno[1,2-b]quinoline
CID 164681332

Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one?
The IUPAC name of (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one (CID 93476786) is (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one.
What is the SMILES notation for (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one?
The canonical SMILES for (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one is CN1c2ccccc2[C@@H]2C(=O)CCC[C@@H]21.
What is the InChIKey of (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one?
The InChIKey is MOVJGLJCNVYGBE-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H15NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6,11,13H,4,7-8H2,1H3/t11-,13-/m0/s1.
What are the key properties of (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one?
(4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one has a molecular weight of 201.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-9-methyl-2,3,4a,9a-tetrahydro-1H-carbazol-4-one is sourced from PubChem (CID 93476786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).