methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate

C18H23NO3 — CID 54177477

IUPACmethyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
SMILESCCC1(CC(=O)OC)CCCc2c1[nH]c1ccc(OC)cc21
InChIInChI=1S/C18H23NO3/c1-4-18(11-16(20)22-3)9-5-6-13-14-10-12(21-2)7-8-15(14)19-17(13)18/h7-8,10,19H,4-6,9,11H2,1-3H3
InChIKeyOZKWYTSEILPYEJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.72
Rot. Bonds4

About methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate

methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate (PubChem CID 54177477) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
PubChem CID54177477
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namemethyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate
SMILESCCC1(CC(=O)OC)CCCc2c1[nH]c1ccc(OC)cc21
InChIInChI=1S/C18H23NO3/c1-4-18(11-16(20)22-3)9-5-6-13-14-10-12(21-2)7-8-15(14)19-17(13)18/h7-8,10,19H,4-6,9,11H2,1-3H3
InChIKeyOZKWYTSEILPYEJ-UHFFFAOYSA-N
XLogP3.72
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1S)-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 129405058
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
2-[1-ethyl-6-(quinolin-2-ylmethoxy)-2,3,4,9-tetrahydrocarbazol-1-yl]acetic acid
CID 19935715
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
cyclobutyl-(6-methoxy-2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-1'-yl)methanone
CID 110197664
methyl (1R)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 7055191
1-ethenyl-6-methoxy-1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole;prop-1-en-2-ylphosphane
CID 168879430
methyl (Z)-3-[(1S)-1-ethyl-9-methoxy-2,3,4,6,7,12-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl]-2-methoxyprop-2-enoate perchlorate
CID 88794619
N-(4-acetylphenyl)-6-methoxyspiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carboxamide
CID 126473227
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
ethyl (1S)-2-(2-chloroacetyl)-6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate
CID 42108608
methyl 2-[(1R)-4-benzyl-1-ethyl-2,3,4,9-tetrahydrocarbazol-1-yl]acetate
CID 70430686

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate?
The IUPAC name of methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate (CID 54177477) is methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate.
What is the SMILES notation for methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate?
The canonical SMILES for methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate is CCC1(CC(=O)OC)CCCc2c1[nH]c1ccc(OC)cc21.
What is the InChIKey of methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate?
The InChIKey is OZKWYTSEILPYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-4-18(11-16(20)22-3)9-5-6-13-14-10-12(21-2)7-8-15(14)19-17(13)18/h7-8,10,19H,4-6,9,11H2,1-3H3.
What are the key properties of methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate?
methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate has a molecular weight of 301.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-ethyl-6-methoxy-2,3,4,9-tetrahydrocarbazol-1-yl)acetate is sourced from PubChem (CID 54177477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).