spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]

C13H9N3 — CID 151213635

IUPACspiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]
SMILESC1=Nc2ccccc2C12N=Cc1c[nH]cc12
InChIInChI=1S/C13H9N3/c1-2-4-12-10(3-1)13(8-15-12)11-7-14-5-9(11)6-16-13/h1-8,14H
InChIKeyZLSWJHPIPDAFAI-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.41
Rot. Bonds

About spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]

spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole] (PubChem CID 151213635) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole].

Molecular Properties

Compound Namespiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]
PubChem CID151213635
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Namespiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]
SMILESC1=Nc2ccccc2C12N=Cc1c[nH]cc12
InChIInChI=1S/C13H9N3/c1-2-4-12-10(3-1)13(8-15-12)11-7-14-5-9(11)6-16-13/h1-8,14H
InChIKeyZLSWJHPIPDAFAI-UHFFFAOYSA-N
XLogP2.41
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[aziridine-2,3'-indole]
CID 173099784
3,3-difluoroindole;hydrochloride
CID 172824632
3-bromoindol-3-ol
CID 68520694
3-iodo-3-phenylindole
CID 175211436
[3-(1H-indol-3-yl)indol-3-yl] acetate
CID 175126456
(3-iodoindol-3-yl)-trimethylazanium
CID 174515957
3-pyrrol-1-ylindol-3-amine
CID 174405091
3-[chloro(fluoro)methyl]-3-methylindole
CID 12518968
(3-methylindol-3-yl) formate
CID 164787795
3-phenylindole-3-carbaldehyde
CID 175244299
spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 90702501
3,3-dimethyl-1,5-benzodiazepine
CID 67559989

Frequently Asked Questions

What is the IUPAC name of spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]?
The IUPAC name of spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole] (CID 151213635) is spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole].
What is the SMILES notation for spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]?
The canonical SMILES for spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole] is C1=Nc2ccccc2C12N=Cc1c[nH]cc12.
What is the InChIKey of spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]?
The InChIKey is ZLSWJHPIPDAFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3/c1-2-4-12-10(3-1)13(8-15-12)11-7-14-5-9(11)6-16-13/h1-8,14H.
What are the key properties of spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]?
spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole] has a molecular weight of 207.24 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole] is sourced from PubChem (CID 151213635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).