1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one

C15H21NO3 — CID 112510811

IUPAC1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one
SMILESCOc1ccc(C)cc1C(O)CCCC(=O)N1CC1
InChIInChI=1S/C15H21NO3/c1-11-6-7-14(19-2)12(10-11)13(17)4-3-5-15(18)16-8-9-16/h6-7,10,13,17H,3-5,8-9H2,1-2H3
InChIKeyPRYMJOUMXMKMAF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds6

About 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one

1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one (PubChem CID 112510811) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one
PubChem CID112510811
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one
SMILESCOc1ccc(C)cc1C(O)CCCC(=O)N1CC1
InChIInChI=1S/C15H21NO3/c1-11-6-7-14(19-2)12(10-11)13(17)4-3-5-15(18)16-8-9-16/h6-7,10,13,17H,3-5,8-9H2,1-2H3
InChIKeyPRYMJOUMXMKMAF-UHFFFAOYSA-N
XLogP2.05
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one 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

methyl 4-hydroxy-4-(2-methoxy-5-methylphenyl)butanoate
CID 82347001
1-(2-methoxy-5-methylphenyl)pentan-1-ol
CID 61080930
4-hydroxy-4-(2-methoxy-5-methylphenyl)-N-propan-2-ylbutanamide
CID 112510957
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
1-(aziridin-1-yl)-4-(3,4-dimethoxyphenyl)-4-hydroxybutan-1-one
CID 112510928
1-(2-methoxy-5-methylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073865
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
methyl 5-(2-ethoxy-5-methylphenyl)-5-hydroxypentanoate
CID 82347110
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
2-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60980968
3-[bis(2-methoxyethyl)amino]-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82073888

Frequently Asked Questions

What is the IUPAC name of 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one?
The IUPAC name of 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one (CID 112510811) is 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one.
What is the SMILES notation for 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one?
The canonical SMILES for 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one is COc1ccc(C)cc1C(O)CCCC(=O)N1CC1.
What is the InChIKey of 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one?
The InChIKey is PRYMJOUMXMKMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-6-7-14(19-2)12(10-11)13(17)4-3-5-15(18)16-8-9-16/h6-7,10,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one?
1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one has a molecular weight of 263.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aziridin-1-yl)-5-hydroxy-5-(2-methoxy-5-methylphenyl)pentan-1-one is sourced from PubChem (CID 112510811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).