5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one

C18H21NO — CID 68860986

IUPAC5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
SMILESCC1=C2NC3C=CC=CC3C2C2CC=CC(=O)C2C1C
InChIInChI=1S/C18H21NO/c1-10-11(2)18-17(12-6-3-4-8-14(12)19-18)13-7-5-9-15(20)16(10)13/h3-6,8-10,12-14,16-17,19H,7H2,1-2H3
InChIKeyRIFGCKUHFTUZON-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.00
Rot. Bonds

About 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one

5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one (PubChem CID 68860986) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one.

Molecular Properties

Compound Name5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
PubChem CID68860986
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one
SMILESCC1=C2NC3C=CC=CC3C2C2CC=CC(=O)C2C1C
InChIInChI=1S/C18H21NO/c1-10-11(2)18-17(12-6-3-4-8-14(12)19-18)13-7-5-9-15(20)16(10)13/h3-6,8-10,12-14,16-17,19H,7H2,1-2H3
InChIKeyRIFGCKUHFTUZON-UHFFFAOYSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
The IUPAC name of 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one (CID 68860986) is 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one.
What is the SMILES notation for 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
The canonical SMILES for 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one is CC1=C2NC3C=CC=CC3C2C2CC=CC(=O)C2C1C.
What is the InChIKey of 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
The InChIKey is RIFGCKUHFTUZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-10-11(2)18-17(12-6-3-4-8-14(12)19-18)13-7-5-9-15(20)16(10)13/h3-6,8-10,12-14,16-17,19H,7H2,1-2H3.
What are the key properties of 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one?
5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one has a molecular weight of 267.37 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,4a,5,7,7a,11a,11b,11c-octahydrobenzo[c]carbazol-4-one is sourced from PubChem (CID 68860986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).