6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

C14H19N3O — CID 72663440

IUPAC6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
SMILESCNC1CCC2Nc3ccc(C(N)=O)cc3C2C1
InChIInChI=1S/C14H19N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,11,13,16-17H,3,5,7H2,1H3,(H2,15,18)
InChIKeySXXGWGNELXGULR-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.44
Rot. Bonds2

About 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide (PubChem CID 72663440) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide.

Molecular Properties

Compound Name6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
PubChem CID72663440
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
SMILESCNC1CCC2Nc3ccc(C(N)=O)cc3C2C1
InChIInChI=1S/C14H19N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,11,13,16-17H,3,5,7H2,1H3,(H2,15,18)
InChIKeySXXGWGNELXGULR-UHFFFAOYSA-N
XLogP1.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide?
The IUPAC name of 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide (CID 72663440) is 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide.
What is the SMILES notation for 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide?
The canonical SMILES for 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide is CNC1CCC2Nc3ccc(C(N)=O)cc3C2C1.
What is the InChIKey of 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide?
The InChIKey is SXXGWGNELXGULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)18)2-4-12(10)17-13/h2,4,6,9,11,13,16-17H,3,5,7H2,1H3,(H2,15,18).
What are the key properties of 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide?
6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide has a molecular weight of 245.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide is sourced from PubChem (CID 72663440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).