2-(4-hydroxycyclohexyl)propanamide

C9H17NO2 — CID 90285777

IUPAC2-(4-hydroxycyclohexyl)propanamide
SMILESCC(C(N)=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO2/c1-6(9(10)12)7-2-4-8(11)5-3-7/h6-8,11H,2-5H2,1H3,(H2,10,12)
InChIKeySRQMEDHEHNUIPA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.66
Rot. Bonds2

About 2-(4-hydroxycyclohexyl)propanamide

2-(4-hydroxycyclohexyl)propanamide (PubChem CID 90285777) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)propanamide
PubChem CID90285777
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(4-hydroxycyclohexyl)propanamide
SMILESCC(C(N)=O)C1CCC(O)CC1
InChIInChI=1S/C9H17NO2/c1-6(9(10)12)7-2-4-8(11)5-3-7/h6-8,11H,2-5H2,1H3,(H2,10,12)
InChIKeySRQMEDHEHNUIPA-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)propanamide?
The IUPAC name of 2-(4-hydroxycyclohexyl)propanamide (CID 90285777) is 2-(4-hydroxycyclohexyl)propanamide.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)propanamide?
The canonical SMILES for 2-(4-hydroxycyclohexyl)propanamide is CC(C(N)=O)C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)propanamide?
The InChIKey is SRQMEDHEHNUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(9(10)12)7-2-4-8(11)5-3-7/h6-8,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 2-(4-hydroxycyclohexyl)propanamide?
2-(4-hydroxycyclohexyl)propanamide has a molecular weight of 171.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)propanamide is sourced from PubChem (CID 90285777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).