2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate

C21H21NO3 — CID 178100321

IUPAC2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H21NO3/c1-3-13-24-15-16(2)21(23)25-14-12-22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h3-11H,1-2,12-15H2
InChIKeyNWRVLDIEVFDIIC-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.10
Rot. Bonds8

About 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate

2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 178100321) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID178100321
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C21H21NO3/c1-3-13-24-15-16(2)21(23)25-14-12-22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h3-11H,1-2,12-15H2
InChIKeyNWRVLDIEVFDIIC-UHFFFAOYSA-N
XLogP4.10
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
CID 145481975
2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
CID 163696593
methyl 4-carbazol-9-yl-2-methylidenebutanoate
CID 155804383
bis[2-(9-oxoacridin-10-yl)ethyl] (E)-but-2-enedioate
CID 146937858
5-carbazol-9-yl-2-methylidenepentanoic acid
CID 67001914
2-[3-(hydroxymethyl)carbazol-9-yl]ethyl acetate
CID 143174420
9-[2-(2-chloroethoxy)ethyl]carbazole
CID 11807874
3-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]propyl 2-methylprop-2-enoate
CID 102506876
2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 155660539
4-carbazol-9-ylbutane-1-sulfonic acid
CID 87202884
9-[2-(4-phenylpyridin-1-ium-1-yl)oxyethyl]carbazole
CID 59705457
(3R)-1-[2-(2-carbazol-9-ylethoxy)ethyl]piperidine-3-carboxylic acid
CID 11079073

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 178100321) is 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is NWRVLDIEVFDIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-13-24-15-16(2)21(23)25-14-12-22-19-10-6-4-8-17(19)18-9-5-7-11-20(18)22/h3-11H,1-2,12-15H2.
What are the key properties of 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate?
2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 335.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 178100321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).