2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine

C10H15NO — CID 89192702

IUPAC2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine
SMILESC=C=C(OCC)C1(N)CC1C=C
InChIInChI=1S/C10H15NO/c1-4-8-7-10(8,11)9(5-2)12-6-3/h4,8H,1-2,6-7,11H2,3H3
InChIKeyNRQDRSYOPFRONJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.60
Rot. Bonds4

About 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine

2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine (PubChem CID 89192702) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine
PubChem CID89192702
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine
SMILESC=C=C(OCC)C1(N)CC1C=C
InChIInChI=1S/C10H15NO/c1-4-8-7-10(8,11)9(5-2)12-6-3/h4,8H,1-2,6-7,11H2,3H3
InChIKeyNRQDRSYOPFRONJ-UHFFFAOYSA-N
XLogP1.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine?
The IUPAC name of 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine (CID 89192702) is 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine.
What is the SMILES notation for 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine?
The canonical SMILES for 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine is C=C=C(OCC)C1(N)CC1C=C.
What is the InChIKey of 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine?
The InChIKey is NRQDRSYOPFRONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-7-10(8,11)9(5-2)12-6-3/h4,8H,1-2,6-7,11H2,3H3.
What are the key properties of 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine?
2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(1-ethoxypropa-1,2-dienyl)cyclopropan-1-amine is sourced from PubChem (CID 89192702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).