5-(aziridin-2-yl)-2,3-dihydro-1H-indole

C10H12N2 — CID 88562655

IUPAC5-(aziridin-2-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1C1CN1)CCN2
InChIInChI=1S/C10H12N2/c1-2-9-8(3-4-11-9)5-7(1)10-6-12-10/h1-2,5,10-12H,3-4,6H2
InChIKeyMFFKIQQOSTUUAG-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.30
Rot. Bonds1

About 5-(aziridin-2-yl)-2,3-dihydro-1H-indole

5-(aziridin-2-yl)-2,3-dihydro-1H-indole (PubChem CID 88562655) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-(aziridin-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(aziridin-2-yl)-2,3-dihydro-1H-indole
PubChem CID88562655
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-(aziridin-2-yl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1C1CN1)CCN2
InChIInChI=1S/C10H12N2/c1-2-9-8(3-4-11-9)5-7(1)10-6-12-10/h1-2,5,10-12H,3-4,6H2
InChIKeyMFFKIQQOSTUUAG-UHFFFAOYSA-N
XLogP1.30
TPSA33.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(aziridin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82468625
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
6-piperidin-3-yl-1,2,3,4-tetrahydroquinoline
CID 83392528
5-(2,3,4,5,6-pentamethylphenyl)-2,3-dihydro-1H-indole
CID 63424136
6-(4-phenylpiperazin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 167250548
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 139022525
5-(5,6,7,8-tetrahydronaphthalen-2-yl)-2,3-dihydro-1H-indole
CID 63424177
6-(5-methylpiperidin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164753190
(R)-cyclopropyl(2,3-dihydro-1H-indol-5-yl)methanamine
CID 55272647
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934

Frequently Asked Questions

What is the IUPAC name of 5-(aziridin-2-yl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(aziridin-2-yl)-2,3-dihydro-1H-indole (CID 88562655) is 5-(aziridin-2-yl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(aziridin-2-yl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(aziridin-2-yl)-2,3-dihydro-1H-indole is c1cc2c(cc1C1CN1)CCN2.
What is the InChIKey of 5-(aziridin-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is MFFKIQQOSTUUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-9-8(3-4-11-9)5-7(1)10-6-12-10/h1-2,5,10-12H,3-4,6H2.
What are the key properties of 5-(aziridin-2-yl)-2,3-dihydro-1H-indole?
5-(aziridin-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 160.22 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aziridin-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 88562655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).