N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide

C10H17NO2 — CID 118920479

IUPACN-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
SMILESCCC1=C[C@@H](O)[C@H](NC(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-3-8-4-5-9(10(13)6-8)11-7(2)12/h6,9-10,13H,3-5H2,1-2H3,(H,11,12)/t9-,10-/m1/s1
InChIKeyLCJCQGLXORMLMU-NXEZZACHSA-N
MW183.25 g/mol
LogP0.98
Rot. Bonds2

About N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide

N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide (PubChem CID 118920479) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
PubChem CID118920479
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
SMILESCCC1=C[C@@H](O)[C@H](NC(C)=O)CC1
InChIInChI=1S/C10H17NO2/c1-3-8-4-5-9(10(13)6-8)11-7(2)12/h6,9-10,13H,3-5H2,1-2H3,(H,11,12)/t9-,10-/m1/s1
InChIKeyLCJCQGLXORMLMU-NXEZZACHSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide (CID 118920479) is N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide is CCC1=C[C@@H](O)[C@H](NC(C)=O)CC1.
What is the InChIKey of N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide?
The InChIKey is LCJCQGLXORMLMU-NXEZZACHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-8-4-5-9(10(13)6-8)11-7(2)12/h6,9-10,13H,3-5H2,1-2H3,(H,11,12)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide?
N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 118920479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).