9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one

C17H14FNO — CID 172635665

IUPAC9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one
SMILESCc1ccc2c(c1)C(=O)C1(C)Cc3c(F)cccc3N21
InChIInChI=1S/C17H14FNO/c1-10-6-7-15-11(8-10)16(20)17(2)9-12-13(18)4-3-5-14(12)19(15)17/h3-8H,9H2,1-2H3
InChIKeyWZUPVWKTNVTHFD-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.78
Rot. Bonds

About 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one

9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one (PubChem CID 172635665) has the molecular formula C17H14FNO and a molecular weight of 267.30 g/mol. Its IUPAC name is 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one.

Molecular Properties

Compound Name9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one
PubChem CID172635665
Molecular FormulaC17H14FNO
Molecular Weight267.30 g/mol
Exact Mass267.11
IUPAC Name9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one
SMILESCc1ccc2c(c1)C(=O)C1(C)Cc3c(F)cccc3N21
InChIInChI=1S/C17H14FNO/c1-10-6-7-15-11(8-10)16(20)17(2)9-12-13(18)4-3-5-14(12)19(15)17/h3-8H,9H2,1-2H3
InChIKeyWZUPVWKTNVTHFD-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one?
The IUPAC name of 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one (CID 172635665) is 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one.
What is the SMILES notation for 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one?
The canonical SMILES for 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one is Cc1ccc2c(c1)C(=O)C1(C)Cc3c(F)cccc3N21.
What is the InChIKey of 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one?
The InChIKey is WZUPVWKTNVTHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO/c1-10-6-7-15-11(8-10)16(20)17(2)9-12-13(18)4-3-5-14(12)19(15)17/h3-8H,9H2,1-2H3.
What are the key properties of 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one?
9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one has a molecular weight of 267.30 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-2,10a-dimethyl-10H-indolo[1,2-a]indol-11-one is sourced from PubChem (CID 172635665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).