methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate

C16H17NO3 — CID 138965362

IUPACmethyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate
SMILESCOC(=O)CC12C=CC(=O)CC1(C)Nc1ccccc12
InChIInChI=1S/C16H17NO3/c1-15-9-11(18)7-8-16(15,10-14(19)20-2)12-5-3-4-6-13(12)17-15/h3-8,17H,9-10H2,1-2H3
InChIKeyUNEONQAJSDTIFO-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.20
Rot. Bonds2

About methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate

methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate (PubChem CID 138965362) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate
PubChem CID138965362
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate
SMILESCOC(=O)CC12C=CC(=O)CC1(C)Nc1ccccc12
InChIInChI=1S/C16H17NO3/c1-15-9-11(18)7-8-16(15,10-14(19)20-2)12-5-3-4-6-13(12)17-15/h3-8,17H,9-10H2,1-2H3
InChIKeyUNEONQAJSDTIFO-UHFFFAOYSA-N
XLogP2.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
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methyl 2-[(4R)-4-methyl-2,3-dihydrochromen-4-yl]acetate
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methyl 2-(2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetate
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methyl 3-(10-methyl-5H-phenazin-1-yl)propanoate
CID 57107155
methyl 2-[2,2-dimethyl-4-(methylamino)-3H-chromen-4-yl]acetate
CID 81142633
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
methyl 2-[(1S)-1-amino-2,3-dihydroinden-1-yl]acetate
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2-methyl-2-(2-oxopropyl)-1H-indol-3-one
CID 121014651
methyl 2-[(2R,8'S,8'aS)-8'-ethyl-3-oxospiro[1H-indole-2,1'-2,3,5,6,7,8a-hexahydroindolizine]-8'-yl]acetate
CID 153284539

Frequently Asked Questions

What is the IUPAC name of methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate?
The IUPAC name of methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate (CID 138965362) is methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate.
What is the SMILES notation for methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate?
The canonical SMILES for methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate is COC(=O)CC12C=CC(=O)CC1(C)Nc1ccccc12.
What is the InChIKey of methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate?
The InChIKey is UNEONQAJSDTIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-15-9-11(18)7-8-16(15,10-14(19)20-2)12-5-3-4-6-13(12)17-15/h3-8,17H,9-10H2,1-2H3.
What are the key properties of methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate?
methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate has a molecular weight of 271.32 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9a-methyl-2-oxo-1,9-dihydrocarbazol-4a-yl)acetate is sourced from PubChem (CID 138965362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).