methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate

C20H23NO3 — CID 22738604

IUPACmethyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(n2CC2CCCC2)CCCC1=O
InChIInChI=1S/C20H23NO3/c1-24-20(23)14-8-4-9-15-18(14)19-16(10-5-11-17(19)22)21(15)12-13-6-2-3-7-13/h4,8-9,13H,2-3,5-7,10-12H2,1H3
InChIKeyQZRSFEAXAOKXCG-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.14
Rot. Bonds3

About methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate

methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate (PubChem CID 22738604) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
PubChem CID22738604
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
SMILESCOC(=O)c1cccc2c1c1c(n2CC2CCCC2)CCCC1=O
InChIInChI=1S/C20H23NO3/c1-24-20(23)14-8-4-9-15-18(14)19-16(10-5-11-17(19)22)21(15)12-13-6-2-3-7-13/h4,8-9,13H,2-3,5-7,10-12H2,1H3
InChIKeyQZRSFEAXAOKXCG-UHFFFAOYSA-N
XLogP4.14
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-[(2-bromophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740051
methyl 5-ethyl-1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indole-9-carboxylate
CID 59086102
methyl 7-ethyl-5-oxo-9-[(2-phenoxyphenyl)methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22738500
methyl 9-[(2-cyanophenyl)methyl]-5-oxo-7-pentyl-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22740022
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
methyl 9-benzyl-5-oxo-7-[2-(trifluoromethyl)phenyl]-7,8-dihydro-6H-carbazole-4-carboxylate
CID 142637479
methyl 7-(4-chlorophenyl)-9-[(2-chlorophenyl)methyl]-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate
CID 22741387
propyl 9-(cyclopentylmethyl)-5-(hydrazinecarbonyl)-8-methoxy-5,6,7,8-tetrahydrocarbazole-4-carboxylate
CID 154449517
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 82969171
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805

Frequently Asked Questions

What is the IUPAC name of methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
The IUPAC name of methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate (CID 22738604) is methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
The canonical SMILES for methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate is COC(=O)c1cccc2c1c1c(n2CC2CCCC2)CCCC1=O.
What is the InChIKey of methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
The InChIKey is QZRSFEAXAOKXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-24-20(23)14-8-4-9-15-18(14)19-16(10-5-11-17(19)22)21(15)12-13-6-2-3-7-13/h4,8-9,13H,2-3,5-7,10-12H2,1H3.
What are the key properties of methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate?
methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(cyclopentylmethyl)-5-oxo-7,8-dihydro-6H-carbazole-4-carboxylate is sourced from PubChem (CID 22738604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).