5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide

C13H21NO2 — CID 139406880

IUPAC5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide
SMILESCC(C)NC(=O)C12CC(CCO)C1=CC2C
InChIInChI=1S/C13H21NO2/c1-8(2)14-12(16)13-7-10(4-5-15)11(13)6-9(13)3/h6,8-10,15H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyVBRVLMXLXMGQTB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.48
Rot. Bonds4

About 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide

5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide (PubChem CID 139406880) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide
PubChem CID139406880
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide
SMILESCC(C)NC(=O)C12CC(CCO)C1=CC2C
InChIInChI=1S/C13H21NO2/c1-8(2)14-12(16)13-7-10(4-5-15)11(13)6-9(13)3/h6,8-10,15H,4-5,7H2,1-3H3,(H,14,16)
InChIKeyVBRVLMXLXMGQTB-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.48
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 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide?
The IUPAC name of 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide (CID 139406880) is 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide?
The canonical SMILES for 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide is CC(C)NC(=O)C12CC(CCO)C1=CC2C.
What is the InChIKey of 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide?
The InChIKey is VBRVLMXLXMGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8(2)14-12(16)13-7-10(4-5-15)11(13)6-9(13)3/h6,8-10,15H,4-5,7H2,1-3H3,(H,14,16).
What are the key properties of 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide?
5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-methyl-N-propan-2-ylbicyclo[2.2.0]hex-3-ene-1-carboxamide is sourced from PubChem (CID 139406880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).