2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine

C12H19NO — CID 164660509

IUPAC2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine
SMILESNC(CC1CC=CC1)C12COCC1C2
InChIInChI=1S/C12H19NO/c13-11(5-9-3-1-2-4-9)12-6-10(12)7-14-8-12/h1-2,9-11H,3-8,13H2
InChIKeyCZQAKCWBWNYAFC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.71
Rot. Bonds3

About 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine

2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine (PubChem CID 164660509) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine.

Molecular Properties

Compound Name2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine
PubChem CID164660509
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine
SMILESNC(CC1CC=CC1)C12COCC1C2
InChIInChI=1S/C12H19NO/c13-11(5-9-3-1-2-4-9)12-6-10(12)7-14-8-12/h1-2,9-11H,3-8,13H2
InChIKeyCZQAKCWBWNYAFC-UHFFFAOYSA-N
XLogP1.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine?
The IUPAC name of 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine (CID 164660509) is 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine.
What is the SMILES notation for 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine?
The canonical SMILES for 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine is NC(CC1CC=CC1)C12COCC1C2.
What is the InChIKey of 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine?
The InChIKey is CZQAKCWBWNYAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-11(5-9-3-1-2-4-9)12-6-10(12)7-14-8-12/h1-2,9-11H,3-8,13H2.
What are the key properties of 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine?
2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-3-en-1-yl-1-(3-oxabicyclo[3.1.0]hexan-1-yl)ethanamine is sourced from PubChem (CID 164660509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).