methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

C17H20ClNO2 — CID 84613304

IUPACmethyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)C1CCc2c(c3cc(Cl)ccc3n2C(C)C)C1
InChIInChI=1S/C17H20ClNO2/c1-10(2)19-15-6-4-11(17(20)21-3)8-13(15)14-9-12(18)5-7-16(14)19/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyHNUXAHQXAACQSD-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.15
Rot. Bonds2

About methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate

methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate (PubChem CID 84613304) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
PubChem CID84613304
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Namemethyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
SMILESCOC(=O)C1CCc2c(c3cc(Cl)ccc3n2C(C)C)C1
InChIInChI=1S/C17H20ClNO2/c1-10(2)19-15-6-4-11(17(20)21-3)8-13(15)14-9-12(18)5-7-16(14)19/h5,7,9-11H,4,6,8H2,1-3H3
InChIKeyHNUXAHQXAACQSD-UHFFFAOYSA-N
XLogP4.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613295
6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613298
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-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613299
methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
CID 99996425
ethyl 6,9-dimethyl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84612098
methyl 12-chloro-2-oxo-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene-4-carboxylate
CID 24839608
methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 105462926
9-(4-chlorobenzoyl)-6-phosphanyl-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 138717980
4-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-(4-methoxyphenyl)pentanamide
CID 174646471
2-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 67358490

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The IUPAC name of methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate (CID 84613304) is methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The canonical SMILES for methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate is COC(=O)C1CCc2c(c3cc(Cl)ccc3n2C(C)C)C1.
What is the InChIKey of methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
The InChIKey is HNUXAHQXAACQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-10(2)19-15-6-4-11(17(20)21-3)8-13(15)14-9-12(18)5-7-16(14)19/h5,7,9-11H,4,6,8H2,1-3H3.
What are the key properties of methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate?
methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate has a molecular weight of 305.81 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate is sourced from PubChem (CID 84613304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).