2-(1-hydroxycyclohexyl)-N-methylacetamide

C9H17NO2 — CID 126996870

IUPAC2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C9H17NO2/c1-10-8(11)7-9(12)5-3-2-4-6-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyPFFPBCJVEZXYGE-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.82
Rot. Bonds2

About 2-(1-hydroxycyclohexyl)-N-methylacetamide

2-(1-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 126996870) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-methylacetamide
PubChem CID126996870
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(1-hydroxycyclohexyl)-N-methylacetamide
SMILESCNC(=O)CC1(O)CCCCC1
InChIInChI=1S/C9H17NO2/c1-10-8(11)7-9(12)5-3-2-4-6-9/h12H,2-7H2,1H3,(H,10,11)
InChIKeyPFFPBCJVEZXYGE-UHFFFAOYSA-N
XLogP0.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-methylacetamide (CID 126996870) is 2-(1-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-methylacetamide is CNC(=O)CC1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is PFFPBCJVEZXYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-8(11)7-9(12)5-3-2-4-6-9/h12H,2-7H2,1H3,(H,10,11).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-methylacetamide?
2-(1-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 171.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 126996870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).