2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile

C16H17N3O2 — CID 62743306

IUPAC2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile
SMILESCN1C(=O)c2ccc(NC3CCCCC3C#N)cc2C1=O
InChIInChI=1S/C16H17N3O2/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)18-14-5-3-2-4-10(14)9-17/h6-8,10,14,18H,2-5H2,1H3
InChIKeySVAWPMPMPBJRQX-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.41
Rot. Bonds2

About 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile

2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile (PubChem CID 62743306) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile
PubChem CID62743306
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile
SMILESCN1C(=O)c2ccc(NC3CCCCC3C#N)cc2C1=O
InChIInChI=1S/C16H17N3O2/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)18-14-5-3-2-4-10(14)9-17/h6-8,10,14,18H,2-5H2,1H3
InChIKeySVAWPMPMPBJRQX-UHFFFAOYSA-N
XLogP2.41
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile (CID 62743306) is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile is CN1C(=O)c2ccc(NC3CCCCC3C#N)cc2C1=O.
What is the InChIKey of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile?
The InChIKey is SVAWPMPMPBJRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19-15(20)12-7-6-11(8-13(12)16(19)21)18-14-5-3-2-4-10(14)9-17/h6-8,10,14,18H,2-5H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile?
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile has a molecular weight of 283.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).