9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide

C14H16N2O — CID 84613056

IUPAC9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3ccccc31)CC(C(N)=O)CC2
InChIInChI=1S/C14H16N2O/c1-16-12-5-3-2-4-10(12)11-8-9(14(15)17)6-7-13(11)16/h2-5,9H,6-8H2,1H3,(H2,15,17)
InChIKeyCANLSZDXTRGCEP-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.77
Rot. Bonds1

About 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide

9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide (PubChem CID 84613056) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
PubChem CID84613056
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCn1c2c(c3ccccc31)CC(C(N)=O)CC2
InChIInChI=1S/C14H16N2O/c1-16-12-5-3-2-4-10(12)11-8-9(14(15)17)6-7-13(11)16/h2-5,9H,6-8H2,1H3,(H2,15,17)
InChIKeyCANLSZDXTRGCEP-UHFFFAOYSA-N
XLogP1.77
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.77
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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Related Compounds

methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
ethane;9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol
CID 145187913
(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)propanamide
CID 113096632
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)-2-phenylacetamide
CID 113096664
N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanesulfonamide
CID 113096702
4-methoxy-N-(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)benzamide
CID 113096656
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
9-methyl-2,4-dihydro-1H-carbazol-3-one
CID 12026696
2,6-dimethyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole
CID 170405716
2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
CID 43866445
5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-1-carboxamide
CID 23559680

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide (CID 84613056) is 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide is Cn1c2c(c3ccccc31)CC(C(N)=O)CC2.
What is the InChIKey of 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The InChIKey is CANLSZDXTRGCEP-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/h2-5,9H,6-8H2,1H3,(H2,15,17).
What are the key properties of 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 84613056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).