6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide

C16H20FN3O — CID 84613207

IUPAC6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
SMILESCCCn1c2c(c3cc(F)ccc31)CC(C(=O)NN)CC2
InChIInChI=1S/C16H20FN3O/c1-2-7-20-14-5-3-10(16(21)19-18)8-12(14)13-9-11(17)4-6-15(13)20/h4,6,9-10H,2-3,5,7-8,18H2,1H3,(H,19,21)
InChIKeyCRTVJPDYBBHUDY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.29
Rot. Bonds3

About 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide

6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide (PubChem CID 84613207) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide.

Molecular Properties

Compound Name6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
PubChem CID84613207
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
SMILESCCCn1c2c(c3cc(F)ccc31)CC(C(=O)NN)CC2
InChIInChI=1S/C16H20FN3O/c1-2-7-20-14-5-3-10(16(21)19-18)8-12(14)13-9-11(17)4-6-15(13)20/h4,6,9-10H,2-3,5,7-8,18H2,1H3,(H,19,21)
InChIKeyCRTVJPDYBBHUDY-UHFFFAOYSA-N
XLogP2.29
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
ethyl 6-chloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612169
6,7-dichloro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 84612177
6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
CID 67204415
methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613295
2-[3-[(3Z,5Z,7Z)-2H-azocine-1-carbonyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 142758640
6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613299
2-[3-(2,3-dihydroindole-1-carbonyl)-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358726
6-fluoro-9-[2-(5-fluoro-3-pyridinyl)ethyl]-3-methyl-1,2,3,4-tetrahydrocarbazole;hydrochloride
CID 138393193
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
2-[(3R)-6-fluoro-3-[(2-phenylacetyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 25024636

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
The IUPAC name of 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide (CID 84613207) is 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide.
What is the SMILES notation for 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
The canonical SMILES for 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide is CCCn1c2c(c3cc(F)ccc31)CC(C(=O)NN)CC2.
What is the InChIKey of 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
The InChIKey is CRTVJPDYBBHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-7-20-14-5-3-10(16(21)19-18)8-12(14)13-9-11(17)4-6-15(13)20/h4,6,9-10H,2-3,5,7-8,18H2,1H3,(H,19,21).
What are the key properties of 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide?
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide has a molecular weight of 289.35 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide is sourced from PubChem (CID 84613207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).