2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate

C19H17NO2 — CID 20754075

IUPAC2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c2ccccc2c2cc(C=C)ccc21
InChIInChI=1S/C19H17NO2/c1-3-14-9-10-18-16(13-14)15-7-5-6-8-17(15)20(18)11-12-22-19(21)4-2/h3-10,13H,1-2,11-12H2
InChIKeyPNCFPUNIVLDOMP-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate

2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate (PubChem CID 20754075) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate
PubChem CID20754075
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate
SMILESC=CC(=O)OCCn1c2ccccc2c2cc(C=C)ccc21
InChIInChI=1S/C19H17NO2/c1-3-14-9-10-18-16(13-14)15-7-5-6-8-17(15)20(18)11-12-22-19(21)4-2/h3-10,13H,1-2,11-12H2
InChIKeyPNCFPUNIVLDOMP-UHFFFAOYSA-N
XLogP4.17
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate?
The IUPAC name of 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate (CID 20754075) is 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate.
What is the SMILES notation for 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate?
The canonical SMILES for 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate is C=CC(=O)OCCn1c2ccccc2c2cc(C=C)ccc21.
What is the InChIKey of 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate?
The InChIKey is PNCFPUNIVLDOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-3-14-9-10-18-16(13-14)15-7-5-6-8-17(15)20(18)11-12-22-19(21)4-2/h3-10,13H,1-2,11-12H2.
What are the key properties of 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate?
2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate has a molecular weight of 291.35 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenylcarbazol-9-yl)ethyl prop-2-enoate is sourced from PubChem (CID 20754075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).