methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate

C16H13NO2 — CID 162411869

IUPACmethyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H13NO2/c1-19-15(18)10-9-11-5-4-7-13-12-6-2-3-8-14(12)17-16(11)13/h2-10,17H,1H3/b10-9+
InChIKeyNCSCXLPLBQYMOF-MDZDMXLPSA-N
MW251.29 g/mol
LogP3.51
Rot. Bonds2

About methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate

methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate (PubChem CID 162411869) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
PubChem CID162411869
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Namemethyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate
SMILESCOC(=O)/C=C/c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C16H13NO2/c1-19-15(18)10-9-11-5-4-7-13-12-6-2-3-8-14(12)17-16(11)13/h2-10,17H,1H3/b10-9+
InChIKeyNCSCXLPLBQYMOF-MDZDMXLPSA-N
XLogP3.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate (CID 162411869) is methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate is COC(=O)/C=C/c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate?
The InChIKey is NCSCXLPLBQYMOF-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H13NO2/c1-19-15(18)10-9-11-5-4-7-13-12-6-2-3-8-14(12)17-16(11)13/h2-10,17H,1H3/b10-9+.
What are the key properties of methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate?
methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate has a molecular weight of 251.29 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(9H-carbazol-1-yl)prop-2-enoate is sourced from PubChem (CID 162411869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).