3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide

C16H26N2O — CID 24869668

IUPAC3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide
SMILESCC12CCCCC1N(CCC(N)=O)C1=C2CCCC1
InChIInChI=1S/C16H26N2O/c1-16-10-5-4-8-14(16)18(11-9-15(17)19)13-7-3-2-6-12(13)16/h14H,2-11H2,1H3,(H2,17,19)
InChIKeyCBSSCDNOEIFZEV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.95
Rot. Bonds3

About 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide

3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide (PubChem CID 24869668) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide.

Molecular Properties

Compound Name3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide
PubChem CID24869668
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide
SMILESCC12CCCCC1N(CCC(N)=O)C1=C2CCCC1
InChIInChI=1S/C16H26N2O/c1-16-10-5-4-8-14(16)18(11-9-15(17)19)13-7-3-2-6-12(13)16/h14H,2-11H2,1H3,(H2,17,19)
InChIKeyCBSSCDNOEIFZEV-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide?
The IUPAC name of 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide (CID 24869668) is 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide.
What is the SMILES notation for 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide?
The canonical SMILES for 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide is CC12CCCCC1N(CCC(N)=O)C1=C2CCCC1.
What is the InChIKey of 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide?
The InChIKey is CBSSCDNOEIFZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16-10-5-4-8-14(16)18(11-9-15(17)19)13-7-3-2-6-12(13)16/h14H,2-11H2,1H3,(H2,17,19).
What are the key properties of 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide?
3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4b-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-carbazol-9-yl)propanamide is sourced from PubChem (CID 24869668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).