1-[2-(aziridin-1-yl)ethyl]-5-chloroindole

C12H13ClN2 — CID 154694205

IUPAC1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
SMILESClc1ccc2c(ccn2CCN2CC2)c1
InChIInChI=1S/C12H13ClN2/c13-11-1-2-12-10(9-11)3-4-15(12)8-7-14-5-6-14/h1-4,9H,5-8H2
InChIKeyAKKPWPYLXHOXTP-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.61
Rot. Bonds3

About 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole

1-[2-(aziridin-1-yl)ethyl]-5-chloroindole (PubChem CID 154694205) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole.

Molecular Properties

Compound Name1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
PubChem CID154694205
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
SMILESClc1ccc2c(ccn2CCN2CC2)c1
InChIInChI=1S/C12H13ClN2/c13-11-1-2-12-10(9-11)3-4-15(12)8-7-14-5-6-14/h1-4,9H,5-8H2
InChIKeyAKKPWPYLXHOXTP-UHFFFAOYSA-N
XLogP2.61
TPSA7.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-1-(2-pyrrolidin-1-ylethyl)indole
CID 116620684
1-but-3-enyl-5-chloroindole
CID 84573302
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
CID 55258997
N-[2-(5-chloroindol-1-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 55256324
1-[2-(aziridin-1-yl)ethyl]-5-(trifluoromethoxy)indole
CID 154694278
3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
1-[2-(azetidin-1-yl)ethyl]-5-[3-(2,4-dichlorophenyl)propoxy]indole
CID 141113079
N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
CID 63879211
N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine
CID 63877665
5-chloro-1-(2-propan-2-yloxyethyl)indole
CID 116623109
N-[2-(5-chloroindol-1-yl)ethyl]hexan-1-amine
CID 63879376
6-(5-chloroindol-1-yl)hexan-2-one
CID 63879725

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole?
The IUPAC name of 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole (CID 154694205) is 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole.
What is the SMILES notation for 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole?
The canonical SMILES for 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole is Clc1ccc2c(ccn2CCN2CC2)c1.
What is the InChIKey of 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole?
The InChIKey is AKKPWPYLXHOXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-11-1-2-12-10(9-11)3-4-15(12)8-7-14-5-6-14/h1-4,9H,5-8H2.
What are the key properties of 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole?
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole has a molecular weight of 220.70 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aziridin-1-yl)ethyl]-5-chloroindole is sourced from PubChem (CID 154694205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).