tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate

C19H19NO2 — CID 11551058

IUPACtert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H19NO2/c1-19(2,3)22-18(21)11-9-13-8-10-17-15(12-13)14-6-4-5-7-16(14)20-17/h4-12,20H,1-3H3/b11-9+
InChIKeyOOZXWIMBYUESJG-PKNBQFBNSA-N
MW293.37 g/mol
LogP4.68
Rot. Bonds2

About tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate

tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate (PubChem CID 11551058) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
PubChem CID11551058
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Nametert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate
SMILESCC(C)(C)OC(=O)/C=C/c1ccc2[nH]c3ccccc3c2c1
InChIInChI=1S/C19H19NO2/c1-19(2,3)22-18(21)11-9-13-8-10-17-15(12-13)14-6-4-5-7-16(14)20-17/h4-12,20H,1-3H3/b11-9+
InChIKeyOOZXWIMBYUESJG-PKNBQFBNSA-N
XLogP4.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.68
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

9H-carbazol-3-yl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 142723697
9H-carbazol-3-yl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate
CID 142723711
tert-butyl 3-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 68895336
tert-butyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 44571369
3-[2-[4-[4-[(Z)-2-(9H-carbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]-9H-carbazole
CID 163731823
tert-butyl 3-(3-amino-4-phenylphenyl)prop-2-enoate
CID 66597716
9H-carbazol-3-yl (E)-3-thiophen-3-ylprop-2-enoate
CID 142723689
tert-butyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 11458639
tert-butyl 3-(4-formylphenyl)prop-2-enoate
CID 54147604
tert-butyl (E)-3-(3-amino-4-chlorophenyl)prop-2-enoate
CID 89141548
(E)-N-(9H-carbazol-3-yl)-3-(4-methoxyphenyl)prop-2-enamide
CID 122192252
tert-butyl (E)-3-[2,3-bis[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-1-benzofuran-5-yl]prop-2-enoate
CID 101469128

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate (CID 11551058) is tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate is CC(C)(C)OC(=O)/C=C/c1ccc2[nH]c3ccccc3c2c1.
What is the InChIKey of tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate?
The InChIKey is OOZXWIMBYUESJG-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(2,3)22-18(21)11-9-13-8-10-17-15(12-13)14-6-4-5-7-16(14)20-17/h4-12,20H,1-3H3/b11-9+.
What are the key properties of tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate?
tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate has a molecular weight of 293.37 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-3-(9H-carbazol-3-yl)prop-2-enoate is sourced from PubChem (CID 11551058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).