6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide

C15H17ClN2O — CID 10660126

IUPAC6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide
SMILESCN(C)C(=O)n1c2c(c3cc(Cl)ccc31)CCCC2
InChIInChI=1S/C15H17ClN2O/c1-17(2)15(19)18-13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)18/h7-9H,3-6H2,1-2H3
InChIKeyHBMBWKSFXIVOLK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.70
Rot. Bonds

About 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide

6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide (PubChem CID 10660126) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide
PubChem CID10660126
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide
SMILESCN(C)C(=O)n1c2c(c3cc(Cl)ccc31)CCCC2
InChIInChI=1S/C15H17ClN2O/c1-17(2)15(19)18-13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)18/h7-9H,3-6H2,1-2H3
InChIKeyHBMBWKSFXIVOLK-UHFFFAOYSA-N
XLogP3.70
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide?
The IUPAC name of 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide (CID 10660126) is 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide?
The canonical SMILES for 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide is CN(C)C(=O)n1c2c(c3cc(Cl)ccc31)CCCC2.
What is the InChIKey of 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide?
The InChIKey is HBMBWKSFXIVOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-17(2)15(19)18-13-6-4-3-5-11(13)12-9-10(16)7-8-14(12)18/h7-9H,3-6H2,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide?
6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide has a molecular weight of 276.77 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-1,2,3,4-tetrahydrocarbazole-9-carboxamide is sourced from PubChem (CID 10660126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).