cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide

C8H15NO2 — CID 131089330

IUPACcis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C8H15NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyOIQHXTTYAMZXMI-NKWVEPMBSA-N
MW157.21 g/mol
LogP0.28
Rot. Bonds1

About cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide

cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide (PubChem CID 131089330) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
PubChem CID131089330
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namecis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)[C@H]1CCCC[C@H]1O
InChIInChI=1S/C8H15NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyOIQHXTTYAMZXMI-NKWVEPMBSA-N
XLogP0.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide (CID 131089330) is cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide is CNC(=O)[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is OIQHXTTYAMZXMI-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h6-7,10H,2-5H2,1H3,(H,9,11)/t6-,7+/m0/s1.
What are the key properties of cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide?
cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-hydroxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 131089330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).