ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate

C17H19NO2 — CID 905333

IUPACethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H19NO2/c1-2-20-16(19)11-10-12-6-5-8-14-13-7-3-4-9-15(13)18-17(12)14/h3-4,7,9-12,18H,2,5-6,8H2,1H3/b11-10+/t12-/m0/s1
InChIKeySMHOJQOZSSTOIW-IIANPFDCSA-N
MW269.34 g/mol
LogP3.71
Rot. Bonds3

About ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate

ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate (PubChem CID 905333) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate
PubChem CID905333
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H19NO2/c1-2-20-16(19)11-10-12-6-5-8-14-13-7-3-4-9-15(13)18-17(12)14/h3-4,7,9-12,18H,2,5-6,8H2,1H3/b11-10+/t12-/m0/s1
InChIKeySMHOJQOZSSTOIW-IIANPFDCSA-N
XLogP3.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
ethyl (E)-6-hydroxy-3-[(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]hex-2-enoate
CID 177397393
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
diethyl (1R)-1-ethenyl-1,2,4,9-tetrahydrocarbazole-3,3-dicarboxylate
CID 102314186
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]methanamine
CID 26342575
1-[4-[(1R)-2,3,4,9-tetrahydro-1H-carbazole-1-carbonyl]piperazin-1-yl]ethanone
CID 29258867
ethyl 6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylate
CID 11855333
ethyl 3-(4-methoxycarbonylbenzoyl)-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 66641031
ethyl (8R)-8-cyano-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 26342306
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
2,3,4,9-tetrahydro-1H-carbazole-1-thiol
CID 138599371

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate (CID 905333) is ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate is CCOC(=O)/C=C/[C@@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate?
The InChIKey is SMHOJQOZSSTOIW-IIANPFDCSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-16(19)11-10-12-6-5-8-14-13-7-3-4-9-15(13)18-17(12)14/h3-4,7,9-12,18H,2,5-6,8H2,1H3/b11-10+/t12-/m0/s1.
What are the key properties of ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate?
ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]prop-2-enoate is sourced from PubChem (CID 905333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).