spiro[aziridine-2,3'-indole]

C9H8N2 — CID 173099784

IUPACspiro[aziridine-2,3'-indole]
SMILESC1=Nc2ccccc2C12CN2
InChIInChI=1S/C9H8N2/c1-2-4-8-7(3-1)9(5-10-8)6-11-9/h1-5,11H,6H2
InChIKeyWVDWRGPVYBDUAW-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.20
Rot. Bonds

About spiro[aziridine-2,3'-indole]

spiro[aziridine-2,3'-indole] (PubChem CID 173099784) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is spiro[aziridine-2,3'-indole].

Molecular Properties

Compound Namespiro[aziridine-2,3'-indole]
PubChem CID173099784
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Namespiro[aziridine-2,3'-indole]
SMILESC1=Nc2ccccc2C12CN2
InChIInChI=1S/C9H8N2/c1-2-4-8-7(3-1)9(5-10-8)6-11-9/h1-5,11H,6H2
InChIKeyWVDWRGPVYBDUAW-UHFFFAOYSA-N
XLogP1.20
TPSA34.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoroindole;hydrochloride
CID 172824632
3-bromoindol-3-ol
CID 68520694
3-iodo-3-phenylindole
CID 175211436
spiro[indole-3,4'-pyrrolidine]-2'-carboxylic acid
CID 90702501
(3-iodoindol-3-yl)-trimethylazanium
CID 174515957
3-pyrrol-1-ylindol-3-amine
CID 174405091
(3-methylindol-3-yl) formate
CID 164787795
3-[chloro(fluoro)methyl]-3-methylindole
CID 12518968
3-phenylindole-3-carbaldehyde
CID 175244299
spiro[2H-pyrrolo[3,4-c]pyrrole-4,3'-indole]
CID 151213635
2-phenylspiro[cyclopentane-1,3'-indole]
CID 78152438
3,3-dimethyl-1,5-benzodiazepine
CID 67559989

Frequently Asked Questions

What is the IUPAC name of spiro[aziridine-2,3'-indole]?
The IUPAC name of spiro[aziridine-2,3'-indole] (CID 173099784) is spiro[aziridine-2,3'-indole].
What is the SMILES notation for spiro[aziridine-2,3'-indole]?
The canonical SMILES for spiro[aziridine-2,3'-indole] is C1=Nc2ccccc2C12CN2.
What is the InChIKey of spiro[aziridine-2,3'-indole]?
The InChIKey is WVDWRGPVYBDUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c1-2-4-8-7(3-1)9(5-10-8)6-11-9/h1-5,11H,6H2.
What are the key properties of spiro[aziridine-2,3'-indole]?
spiro[aziridine-2,3'-indole] has a molecular weight of 144.18 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[aziridine-2,3'-indole] is sourced from PubChem (CID 173099784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).