6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide

C18H25N3O — CID 84613299

IUPAC6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
SMILESCc1cc2c3c(n(C(C)C)c2cc1C)CCC(C(=O)NN)C3
InChIInChI=1S/C18H25N3O/c1-10(2)21-16-6-5-13(18(22)20-19)9-15(16)14-7-11(3)12(4)8-17(14)21/h7-8,10,13H,5-6,9,19H2,1-4H3,(H,20,22)
InChIKeyJPQDUQYQBQMJJT-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.93
Rot. Bonds2

About 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide

6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide (PubChem CID 84613299) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide.

Molecular Properties

Compound Name6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
PubChem CID84613299
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
SMILESCc1cc2c3c(n(C(C)C)c2cc1C)CCC(C(=O)NN)C3
InChIInChI=1S/C18H25N3O/c1-10(2)21-16-6-5-13(18(22)20-19)9-15(16)14-7-11(3)12(4)8-17(14)21/h7-8,10,13H,5-6,9,19H2,1-4H3,(H,20,22)
InChIKeyJPQDUQYQBQMJJT-UHFFFAOYSA-N
XLogP2.93
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613304
methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613295
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
N-(2-aminoethyl)-6-tert-butyl-9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613081
ethyl 6-chloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612169
methyl 9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613051
6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 84612177
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 54794063
[(1S)-6,9-dimethyl-1,2,3,4-tetrahydrocarbazol-1-yl]urea
CID 878821

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
The IUPAC name of 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide (CID 84613299) is 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide.
What is the SMILES notation for 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
The canonical SMILES for 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide is Cc1cc2c3c(n(C(C)C)c2cc1C)CCC(C(=O)NN)C3.
What is the InChIKey of 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
The InChIKey is JPQDUQYQBQMJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-10(2)21-16-6-5-13(18(22)20-19)9-15(16)14-7-11(3)12(4)8-17(14)21/h7-8,10,13H,5-6,9,19H2,1-4H3,(H,20,22).
What are the key properties of 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide has a molecular weight of 299.42 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide is sourced from PubChem (CID 84613299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).