[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate

C20H21NO2 — CID 151882204

IUPAC[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1c(CCN(C)C)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C20H21NO2/c1-4-19(22)23-20-14(11-12-21(2)3)9-10-17-16-8-6-5-7-15(16)13-18(17)20/h4-10H,1,11-13H2,2-3H3
InChIKeySOYRINUOBKLBIW-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.45
Rot. Bonds5

About [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate

[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate (PubChem CID 151882204) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate.

Molecular Properties

Compound Name[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate
PubChem CID151882204
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1c(CCN(C)C)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C20H21NO2/c1-4-19(22)23-20-14(11-12-21(2)3)9-10-17-16-8-6-5-7-15(16)13-18(17)20/h4-10H,1,11-13H2,2-3H3
InChIKeySOYRINUOBKLBIW-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828
[2-(2-ethyl-2-adamantyl)-9H-fluoren-1-yl] prop-2-enoate
CID 151823536
[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
CID 174954088
[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate
CID 150287468
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
N-(9H-fluoren-1-yl)-N-propylprop-2-enamide
CID 150861275
9H-fluoren-1-yl prop-2-enoate;oxepan-2-one
CID 158528257
4-oxo-4-[2-[(2-prop-2-enoyl-9H-fluoren-1-yl)oxy]ethoxy]butanoic acid
CID 152629912
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
1,2-diethyl-9H-fluorene
CID 23440471
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate?
The IUPAC name of [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate (CID 151882204) is [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate.
What is the SMILES notation for [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate?
The canonical SMILES for [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate is C=CC(=O)Oc1c(CCN(C)C)ccc2c1Cc1ccccc1-2.
What is the InChIKey of [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate?
The InChIKey is SOYRINUOBKLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-19(22)23-20-14(11-12-21(2)3)9-10-17-16-8-6-5-7-15(16)13-18(17)20/h4-10H,1,11-13H2,2-3H3.
What are the key properties of [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate?
[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate has a molecular weight of 307.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate is sourced from PubChem (CID 151882204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).