methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate

C16H13NO3 — CID 82667262

IUPACmethyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H13NO3/c1-20-16(19)9-15(18)10-6-7-14-12(8-10)11-4-2-3-5-13(11)17-14/h2-8,17H,9H2,1H3
InChIKeyJZSXZZBDVZYICH-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.07
Rot. Bonds3

About methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate

methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate (PubChem CID 82667262) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
PubChem CID82667262
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Namemethyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C16H13NO3/c1-20-16(19)9-15(18)10-6-7-14-12(8-10)11-4-2-3-5-13(11)17-14/h2-8,17H,9H2,1H3
InChIKeyJZSXZZBDVZYICH-UHFFFAOYSA-N
XLogP3.07
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-3-oxopropanoate
CID 82666291
2-[2-(9H-carbazol-3-yl)-2-oxoethoxy]acetic acid
CID 61329919
9H-carbazol-3-yl-(2-methoxyphenyl)methanone
CID 175474273
2-amino-1-(9H-carbazol-2-yl)ethanone
CID 170860262
N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
CID 67461997
1-(9H-carbazol-2-yl)-4,4,5,5,5-pentafluoropentane-1,3-dione
CID 91160960
2-(9H-carbazol-3-yl)-N-(3-methoxyphenyl)-2-oxoacetamide
CID 134154996
2,3-dimethoxy-9H-carbazole;terephthalic acid
CID 175513936
methyl 2-(9H-carbazol-3-yl)-2-hydroxyacetate
CID 117390881
N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
CID 158196704
methyl 3-(9H-carbazol-3-yl)-2,3-dihydroxypropanoate
CID 171865046
9H-carbazole;carbonic acid
CID 67577328

Frequently Asked Questions

What is the IUPAC name of methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate (CID 82667262) is methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate is COC(=O)CC(=O)c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate?
The InChIKey is JZSXZZBDVZYICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-16(19)9-15(18)10-6-7-14-12(8-10)11-4-2-3-5-13(11)17-14/h2-8,17H,9H2,1H3.
What are the key properties of methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate?
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate has a molecular weight of 267.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate is sourced from PubChem (CID 82667262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).