1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide

C11H18N2O2 — CID 103820750

IUPAC1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](CO)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O2/c1-9(7-14)13-10(15)11(8-12)5-3-2-4-6-11/h9,14H,2-7H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyYZICRHHBAGAJTP-VIFPVBQESA-N
MW210.28 g/mol
LogP0.96
Rot. Bonds3

About 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide

1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 103820750) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
PubChem CID103820750
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
SMILESC[C@@H](CO)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C11H18N2O2/c1-9(7-14)13-10(15)11(8-12)5-3-2-4-6-11/h9,14H,2-7H2,1H3,(H,13,15)/t9-/m0/s1
InChIKeyYZICRHHBAGAJTP-VIFPVBQESA-N
XLogP0.96
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide (CID 103820750) is 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide is C[C@@H](CO)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is YZICRHHBAGAJTP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(7-14)13-10(15)11(8-12)5-3-2-4-6-11/h9,14H,2-7H2,1H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide?
1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103820750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).