4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide

C9H17NO3 — CID 91077724

IUPAC4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide
SMILESCOC(O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C9H17NO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7,9,12H,2-5H2,1H3,(H2,10,11)
InChIKeyRYRMSXWGNKXKMG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.24
Rot. Bonds3

About 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide

4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide (PubChem CID 91077724) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide
PubChem CID91077724
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide
SMILESCOC(O)C1CCC(C(N)=O)CC1
InChIInChI=1S/C9H17NO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7,9,12H,2-5H2,1H3,(H2,10,11)
InChIKeyRYRMSXWGNKXKMG-UHFFFAOYSA-N
XLogP0.24
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide (CID 91077724) is 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide is COC(O)C1CCC(C(N)=O)CC1.
What is the InChIKey of 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide?
The InChIKey is RYRMSXWGNKXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7,9,12H,2-5H2,1H3,(H2,10,11).
What are the key properties of 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide?
4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(methoxy)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91077724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).