5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one

C17H19NO — CID 68861294

IUPAC5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
SMILESCC1C=C2NC3C=CC=CC3C2C2CC=CC(=O)C12
InChIInChI=1S/C17H19NO/c1-10-9-14-17(11-5-2-3-7-13(11)18-14)12-6-4-8-15(19)16(10)12/h2-5,7-13,16-18H,6H2,1H3
InChIKeyLNIVRQFXPQKMMP-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.61
Rot. Bonds

About 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one

5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one (PubChem CID 68861294) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one.

Molecular Properties

Compound Name5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
PubChem CID68861294
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
SMILESCC1C=C2NC3C=CC=CC3C2C2CC=CC(=O)C12
InChIInChI=1S/C17H19NO/c1-10-9-14-17(11-5-2-3-7-13(11)18-14)12-6-4-8-15(19)16(10)12/h2-5,7-13,16-18H,6H2,1H3
InChIKeyLNIVRQFXPQKMMP-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
The IUPAC name of 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one (CID 68861294) is 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one.
What is the SMILES notation for 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
The canonical SMILES for 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one is CC1C=C2NC3C=CC=CC3C2C2CC=CC(=O)C12.
What is the InChIKey of 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
The InChIKey is LNIVRQFXPQKMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-10-9-14-17(11-5-2-3-7-13(11)18-14)12-6-4-8-15(19)16(10)12/h2-5,7-13,16-18H,6H2,1H3.
What are the key properties of 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one has a molecular weight of 253.34 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one is sourced from PubChem (CID 68861294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).