7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile

C26H24N2O2 — CID 147714157

IUPAC7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
SMILESC=Cc1cc2c(cc1N1CCOCC1)C(C)(C)C1=C(C2=O)c2ccc(C#N)cc2C1
InChIInChI=1S/C26H24N2O2/c1-4-17-12-20-21(14-23(17)28-7-9-30-10-8-28)26(2,3)22-13-18-11-16(15-27)5-6-19(18)24(22)25(20)29/h4-6,11-12,14H,1,7-10,13H2,2-3H3
InChIKeyGVHMYSYOYZGMJU-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.52
Rot. Bonds2

About 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile

7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile (PubChem CID 147714157) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile.

Molecular Properties

Compound Name7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
PubChem CID147714157
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile
SMILESC=Cc1cc2c(cc1N1CCOCC1)C(C)(C)C1=C(C2=O)c2ccc(C#N)cc2C1
InChIInChI=1S/C26H24N2O2/c1-4-17-12-20-21(14-23(17)28-7-9-30-10-8-28)26(2,3)22-13-18-11-16(15-27)5-6-19(18)24(22)25(20)29/h4-6,11-12,14H,1,7-10,13H2,2-3H3
InChIKeyGVHMYSYOYZGMJU-UHFFFAOYSA-N
XLogP4.52
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
The IUPAC name of 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile (CID 147714157) is 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile.
What is the SMILES notation for 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
The canonical SMILES for 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile is C=Cc1cc2c(cc1N1CCOCC1)C(C)(C)C1=C(C2=O)c2ccc(C#N)cc2C1.
What is the InChIKey of 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
The InChIKey is GVHMYSYOYZGMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-4-17-12-20-21(14-23(17)28-7-9-30-10-8-28)26(2,3)22-13-18-11-16(15-27)5-6-19(18)24(22)25(20)29/h4-6,11-12,14H,1,7-10,13H2,2-3H3.
What are the key properties of 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile?
7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile has a molecular weight of 396.49 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-10,10-dimethyl-8-morpholin-4-yl-5-oxo-11H-benzo[b]fluorene-2-carbonitrile is sourced from PubChem (CID 147714157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).