8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide

C16H19N3O2 — CID 130362581

IUPAC8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide
SMILESCC1(C)c2[nH]c3c(C(N)=O)cccc3c2CCC1C(N)=O
InChIInChI=1S/C16H19N3O2/c1-16(2)11(15(18)21)7-6-9-8-4-3-5-10(14(17)20)12(8)19-13(9)16/h3-5,11,19H,6-7H2,1-2H3,(H2,17,20)(H2,18,21)
InChIKeyXSZGUVZHLPAUIK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.59
Rot. Bonds2

About 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide

8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide (PubChem CID 130362581) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide.

Molecular Properties

Compound Name8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide
PubChem CID130362581
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide
SMILESCC1(C)c2[nH]c3c(C(N)=O)cccc3c2CCC1C(N)=O
InChIInChI=1S/C16H19N3O2/c1-16(2)11(15(18)21)7-6-9-8-4-3-5-10(14(17)20)12(8)19-13(9)16/h3-5,11,19H,6-7H2,1-2H3,(H2,17,20)(H2,18,21)
InChIKeyXSZGUVZHLPAUIK-UHFFFAOYSA-N
XLogP1.59
TPSA101.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide?
The IUPAC name of 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide (CID 130362581) is 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide.
What is the SMILES notation for 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide?
The canonical SMILES for 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide is CC1(C)c2[nH]c3c(C(N)=O)cccc3c2CCC1C(N)=O.
What is the InChIKey of 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide?
The InChIKey is XSZGUVZHLPAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2)11(15(18)21)7-6-9-8-4-3-5-10(14(17)20)12(8)19-13(9)16/h3-5,11,19H,6-7H2,1-2H3,(H2,17,20)(H2,18,21).
What are the key properties of 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide?
8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-5,6,7,9-tetrahydrocarbazole-1,7-dicarboxamide is sourced from PubChem (CID 130362581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).