2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid

C18H15NO2 — CID 159268457

IUPAC2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid
SMILESC=Cn1c2ccccc2c2cccc(CC(=C)C(=O)O)c21
InChIInChI=1S/C18H15NO2/c1-3-19-16-10-5-4-8-14(16)15-9-6-7-13(17(15)19)11-12(2)18(20)21/h3-10H,1-2,11H2,(H,20,21)
InChIKeyOMGANOLEEJRITQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.08
Rot. Bonds4

About 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid

2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid (PubChem CID 159268457) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid
PubChem CID159268457
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid
SMILESC=Cn1c2ccccc2c2cccc(CC(=C)C(=O)O)c21
InChIInChI=1S/C18H15NO2/c1-3-19-16-10-5-4-8-14(16)15-9-6-7-13(17(15)19)11-12(2)18(20)21/h3-10H,1-2,11H2,(H,20,21)
InChIKeyOMGANOLEEJRITQ-UHFFFAOYSA-N
XLogP4.08
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.08
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 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid (CID 159268457) is 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid is C=Cn1c2ccccc2c2cccc(CC(=C)C(=O)O)c21.
What is the InChIKey of 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid?
The InChIKey is OMGANOLEEJRITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-3-19-16-10-5-4-8-14(16)15-9-6-7-13(17(15)19)11-12(2)18(20)21/h3-10H,1-2,11H2,(H,20,21).
What are the key properties of 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid?
2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid has a molecular weight of 277.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethenylcarbazol-1-yl)methyl]prop-2-enoic acid is sourced from PubChem (CID 159268457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).