2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate

C35H32N2O4 — CID 159828873

IUPAC2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCn1c2ccccc2c2ccccc21.C=CC(=O)OCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H17NO2.C17H15NO2/c1-13(2)18(20)21-12-11-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19;1-2-17(19)20-12-11-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10H,1,11-12H2,2H3;2-10H,1,11-12H2
InChIKeyNNEULNSTGUSDNR-UHFFFAOYSA-N
MW544.65 g/mol
LogP7.44
Rot. Bonds8

About 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate

2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate (PubChem CID 159828873) has the molecular formula C35H32N2O4 and a molecular weight of 544.65 g/mol. Its IUPAC name is 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate.

Molecular Properties

Compound Name2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate
PubChem CID159828873
Molecular FormulaC35H32N2O4
Molecular Weight544.65 g/mol
Exact Mass544.24
IUPAC Name2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate
SMILESC=C(C)C(=O)OCCn1c2ccccc2c2ccccc21.C=CC(=O)OCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C18H17NO2.C17H15NO2/c1-13(2)18(20)21-12-11-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19;1-2-17(19)20-12-11-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10H,1,11-12H2,2H3;2-10H,1,11-12H2
InChIKeyNNEULNSTGUSDNR-UHFFFAOYSA-N
XLogP7.44
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.65
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 127027176
2-Propenoic acid, 2-cyano-3-(9-ethyl-9H-carbazol-3-yl)-, ethyl ester
CID 3118638
ethyl (E)-2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enoate
CID 789513
Ethyl 1,2,3,4-tetrahydro-9H-carbazole-9-propanoate
CID 86204573
9-{2-[2-(6-Fluoro-1,2,3,4-tetrahydro-9h-carbazol-9-yl)ethoxy]ethyl}-9h-carbazole
CID 177924020

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate?
The IUPAC name of 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate (CID 159828873) is 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate.
What is the SMILES notation for 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate?
The canonical SMILES for 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate is C=C(C)C(=O)OCCn1c2ccccc2c2ccccc21.C=CC(=O)OCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate?
The InChIKey is NNEULNSTGUSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2.C17H15NO2/c1-13(2)18(20)21-12-11-19-16-9-5-3-7-14(16)15-8-4-6-10-17(15)19;1-2-17(19)20-12-11-18-15-9-5-3-7-13(15)14-8-4-6-10-16(14)18/h3-10H,1,11-12H2,2H3;2-10H,1,11-12H2.
What are the key properties of 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate?
2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate has a molecular weight of 544.65 g/mol, XLogP of 7.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylethyl 2-methylprop-2-enoate;2-carbazol-9-ylethyl prop-2-enoate is sourced from PubChem (CID 159828873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).