2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide

C9H15NO2 — CID 15686614

IUPAC2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC=CC(O)C1
InChIInChI=1S/C9H15NO2/c1-10-9(12)6-7-3-2-4-8(11)5-7/h2,4,7-8,11H,3,5-6H2,1H3,(H,10,12)
InChIKeyUPCLYNIBGADJFO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.45
Rot. Bonds2

About 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide

2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide (PubChem CID 15686614) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide
PubChem CID15686614
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1CC=CC(O)C1
InChIInChI=1S/C9H15NO2/c1-10-9(12)6-7-3-2-4-8(11)5-7/h2,4,7-8,11H,3,5-6H2,1H3,(H,10,12)
InChIKeyUPCLYNIBGADJFO-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(6E,8Z,11Z,14Z)-5-hydroxy-N-methylicosa-6,8,11,14-tetraenamide
CID 44300084
N-ethyl-2-[(1r,4s,5s)-4-hydroxy-5-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 171365711
3-(2-Hydroxycyclopent-3-en-1-yl)propanamide
CID 57004911
(Z)-N-heptyl-4-(1-hydroxyethyl)hex-4-enamide
CID 138604549
(2R)-2-(3-hydroxypropyl)-N-methylhex-4-enamide
CID 141002374
4-hydroxy-N-[6-(6-methylcyclohexa-1,3-dien-1-yl)hexyl]cyclohex-2-ene-1-carboxamide
CID 169232106
(5S,6Z,8E,10E,12R,14E)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide
CID 9928338
(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-N-methylicosa-6,8,10,14-tetraenamide
CID 11573848
5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
CID 14737757
(1S,5S)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
CID 45084418
(1R,5R)-5-hydroxy-N-methylcyclohex-3-ene-1-carboxamide
CID 93496925
4-hydroxy-N,2,6,6-tetramethylcyclohex-2-ene-1-carboxamide
CID 130014488

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide (CID 15686614) is 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide is CNC(=O)CC1CC=CC(O)C1.
What is the InChIKey of 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide?
The InChIKey is UPCLYNIBGADJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-9(12)6-7-3-2-4-8(11)5-7/h2,4,7-8,11H,3,5-6H2,1H3,(H,10,12).
What are the key properties of 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide?
2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide has a molecular weight of 169.22 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxycyclohex-3-en-1-yl)-N-methylacetamide is sourced from PubChem (CID 15686614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).