9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C14H16N2O — CID 84613100

IUPAC9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3cc(C(N)=O)ccc31)CCCC2
InChIInChI=1S/C14H16N2O/c1-16-12-5-3-2-4-10(12)11-8-9(14(15)17)6-7-13(11)16/h6-8H,2-5H2,1H3,(H2,15,17)
InChIKeyURYMXWMPNQLBJI-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.16
Rot. Bonds1

About 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide

9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 84613100) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID84613100
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3cc(C(N)=O)ccc31)CCCC2
InChIInChI=1S/C14H16N2O/c1-16-12-5-3-2-4-10(12)11-8-9(14(15)17)6-7-13(11)16/h6-8H,2-5H2,1H3,(H2,15,17)
InChIKeyURYMXWMPNQLBJI-UHFFFAOYSA-N
XLogP2.16
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 84613100) is 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide is Cn1c2c(c3cc(C(N)=O)ccc31)CCCC2.
What is the InChIKey of 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is URYMXWMPNQLBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-12-5-3-2-4-10(12)11-8-9(14(15)17)6-7-13(11)16/h6-8H,2-5H2,1H3,(H2,15,17).
What are the key properties of 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 84613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).