methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate

C18H23NO2 — CID 23938891

IUPACmethyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCCCCn1c2c(c3cc(C(=O)OC)ccc31)CCCC2
InChIInChI=1S/C18H23NO2/c1-3-4-11-19-16-8-6-5-7-14(16)15-12-13(18(20)21-2)9-10-17(15)19/h9-10,12H,3-8,11H2,1-2H3
InChIKeyUTBMJYKNFCMIBB-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.11
Rot. Bonds4

About methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate

methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate (PubChem CID 23938891) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
PubChem CID23938891
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namemethyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
SMILESCCCCn1c2c(c3cc(C(=O)OC)ccc31)CCCC2
InChIInChI=1S/C18H23NO2/c1-3-4-11-19-16-8-6-5-7-14(16)15-12-13(18(20)21-2)9-10-17(15)19/h9-10,12H,3-8,11H2,1-2H3
InChIKeyUTBMJYKNFCMIBB-UHFFFAOYSA-N
XLogP4.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylic acid
CID 83946769
ethane;methyl 9-[3-(2-ethylimidazol-1-yl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 143849916
(9-butyl-5,6,7,8-tetrahydrocarbazol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 143849927
methyl 9-[3-[(6-formylcyclohexa-2,4-diene-1-carbonyl)-methylamino]propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 143849921
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
methyl 9-[1-(benzenesulfonyl)propyl]-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 69164121
3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
CID 82502019
methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate
CID 68883697
9-[3-(dimethylsulfamoyl)propyl]-N-methyl-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 68954073
4-ethyl-2,3-dihydro-1H-cyclopenta[b]indole-7-carboxylic acid
CID 83946840
9-(2-methoxyethyl)-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
CID 21302855
ethyl 9-acetyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate
CID 10401684

Frequently Asked Questions

What is the IUPAC name of methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate (CID 23938891) is methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate is CCCCn1c2c(c3cc(C(=O)OC)ccc31)CCCC2.
What is the InChIKey of methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
The InChIKey is UTBMJYKNFCMIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-4-11-19-16-8-6-5-7-14(16)15-12-13(18(20)21-2)9-10-17(15)19/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate?
methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-butyl-5,6,7,8-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 23938891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).