4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile

C15H18N2O2 — CID 133496794

IUPAC4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)cc1NCC1(CCO)CC1
InChIInChI=1S/C15H18N2O2/c1-11(19)13-3-2-12(9-16)8-14(13)17-10-15(4-5-15)6-7-18/h2-3,8,17-18H,4-7,10H2,1H3
InChIKeyMOJJTWCHVJVCQM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds6

About 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile

4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile (PubChem CID 133496794) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile.

Molecular Properties

Compound Name4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
PubChem CID133496794
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
SMILESCC(=O)c1ccc(C#N)cc1NCC1(CCO)CC1
InChIInChI=1S/C15H18N2O2/c1-11(19)13-3-2-12(9-16)8-14(13)17-10-15(4-5-15)6-7-18/h2-3,8,17-18H,4-7,10H2,1H3
InChIKeyMOJJTWCHVJVCQM-UHFFFAOYSA-N
XLogP2.34
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile 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

4-acetyl-3-[(1-hydroxycyclohexyl)methylamino]benzonitrile
CID 133457212
4-amino-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile
CID 114755919
2-(2-acetyl-5-cyanoanilino)-N,N-dimethylacetamide
CID 133466049
4-acetyl-3-[(4-propoxyphenyl)methylamino]benzonitrile
CID 133456344
4-acetyl-3-(2-piperidin-1-ylethylamino)benzonitrile
CID 133456182
4-acetyl-3-[(2-hydroxycyclohexyl)methylamino]benzonitrile
CID 133458474
3-amino-4-[(1-propylcyclopropyl)methylamino]benzonitrile
CID 114099212
1-(3-cyanophenyl)-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]urea
CID 114750430
4-acetyl-3-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]benzonitrile
CID 133458309
4-acetyl-3-(3-propan-2-yloxypropylamino)benzonitrile
CID 133465855
4-[(2-acetyl-5-cyanoanilino)methyl]-N-methylbenzenesulfonamide
CID 133455913
4-acetyl-3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)benzonitrile
CID 133456598

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile?
The IUPAC name of 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile (CID 133496794) is 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile.
What is the SMILES notation for 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile?
The canonical SMILES for 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile is CC(=O)c1ccc(C#N)cc1NCC1(CCO)CC1.
What is the InChIKey of 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile?
The InChIKey is MOJJTWCHVJVCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(19)13-3-2-12(9-16)8-14(13)17-10-15(4-5-15)6-7-18/h2-3,8,17-18H,4-7,10H2,1H3.
What are the key properties of 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile?
4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile has a molecular weight of 258.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]benzonitrile is sourced from PubChem (CID 133496794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).