1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile

C10H9ClN2 — CID 117009821

IUPAC1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
SMILESCc1ccc(Cl)cc1N1CC1C#N
InChIInChI=1S/C10H9ClN2/c1-7-2-3-8(11)4-10(7)13-6-9(13)5-12/h2-4,9H,6H2,1H3
InChIKeyMOWUHTAJXCNYGL-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.36
Rot. Bonds1

About 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile

1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile (PubChem CID 117009821) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
PubChem CID117009821
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
SMILESCc1ccc(Cl)cc1N1CC1C#N
InChIInChI=1S/C10H9ClN2/c1-7-2-3-8(11)4-10(7)13-6-9(13)5-12/h2-4,9H,6H2,1H3
InChIKeyMOWUHTAJXCNYGL-UHFFFAOYSA-N
XLogP2.36
TPSA26.80 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-chloro-2-methylphenyl)morpholine-2-carbonitrile
CID 117009748
1-(5-chloro-2-methylphenyl)-N-methylazetidin-3-amine
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1-(5-chloro-2-methylphenyl)-2,5-di(propan-2-yl)piperazine
CID 64938084
2-(5-chloro-2-methylphenyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939589
1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79396925
1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carbonitrile
CID 82196284
1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 39348499
1-(4-chloro-2-methylphenyl)-5,5-dimethylpyrrolidine-3-carbonitrile
CID 117018322
1-(5-chloro-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 60862449
(2S)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile
CID 8591104
6-chloro-1-propan-2-yl-3,4-dihydro-2H-quinoline-2-carbonitrile
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1-(5-chloro-2-methylphenyl)piperazine
CID 693767

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile?
The IUPAC name of 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile (CID 117009821) is 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile is Cc1ccc(Cl)cc1N1CC1C#N.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile?
The InChIKey is MOWUHTAJXCNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-7-2-3-8(11)4-10(7)13-6-9(13)5-12/h2-4,9H,6H2,1H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile?
1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile is sourced from PubChem (CID 117009821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).