(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone

C16H21NO — CID 22282326

IUPAC(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21NO/c1-12-11-17(12)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3
InChIKeyPEMJDKZKKVQVBE-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.58
Rot. Bonds2

About (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone

(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone (PubChem CID 22282326) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
PubChem CID22282326
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
SMILESCC1CN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C16H21NO/c1-12-11-17(12)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3
InChIKeyPEMJDKZKKVQVBE-UHFFFAOYSA-N
XLogP3.58
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
(2R)-1-(4-cyclohexylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119371394
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
(2-methylaziridin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 22932713
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
1-(4-cyclohexylphenyl)-2-methylsulfanylethanone
CID 71165542
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
[3-[(2R)-2-methylaziridine-1-carbonyl]-5-[(2S)-2-methylaziridine-1-carbonyl]phenyl]-[(2R)-2-methylaziridin-1-yl]methanone
CID 98086105

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone?
The IUPAC name of (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone (CID 22282326) is (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone?
The canonical SMILES for (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone is CC1CN1C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone?
The InChIKey is PEMJDKZKKVQVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-12-11-17(12)16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-10,12-13H,2-6,11H2,1H3.
What are the key properties of (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone?
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone has a molecular weight of 243.35 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone is sourced from PubChem (CID 22282326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).