3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole

C10H9ClN2 — CID 55263618

IUPAC3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole
SMILESClc1[nH]c2ccccc2c1[C@H]1CN1
InChIInChI=1S/C10H9ClN2/c11-10-9(8-5-12-8)6-3-1-2-4-7(6)13-10/h1-4,8,12-13H,5H2/t8-/m1/s1
InChIKeyKLHSNMZJWWCJIL-MRVPVSSYSA-N
MW192.65 g/mol
LogP2.47
Rot. Bonds1

About 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole

3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole (PubChem CID 55263618) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole.

Molecular Properties

Compound Name3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole
PubChem CID55263618
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole
SMILESClc1[nH]c2ccccc2c1[C@H]1CN1
InChIInChI=1S/C10H9ClN2/c11-10-9(8-5-12-8)6-3-1-2-4-7(6)13-10/h1-4,8,12-13H,5H2/t8-/m1/s1
InChIKeyKLHSNMZJWWCJIL-MRVPVSSYSA-N
XLogP2.47
TPSA37.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole?
The IUPAC name of 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole (CID 55263618) is 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole.
What is the SMILES notation for 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole?
The canonical SMILES for 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole is Clc1[nH]c2ccccc2c1[C@H]1CN1.
What is the InChIKey of 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole?
The InChIKey is KLHSNMZJWWCJIL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-9(8-5-12-8)6-3-1-2-4-7(6)13-10/h1-4,8,12-13H,5H2/t8-/m1/s1.
What are the key properties of 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole?
3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole has a molecular weight of 192.65 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-aziridin-2-yl]-2-chloro-1H-indole is sourced from PubChem (CID 55263618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).