N-but-3-enyl-2-cyclopropyloxolan-3-amine

C11H19NO — CID 103580872

IUPACN-but-3-enyl-2-cyclopropyloxolan-3-amine
SMILESC=CCCNC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h2,9-12H,1,3-8H2
InChIKeyVPALXVKIZSTHCJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.72
Rot. Bonds5

About N-but-3-enyl-2-cyclopropyloxolan-3-amine

N-but-3-enyl-2-cyclopropyloxolan-3-amine (PubChem CID 103580872) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-but-3-enyl-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-but-3-enyl-2-cyclopropyloxolan-3-amine
PubChem CID103580872
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-but-3-enyl-2-cyclopropyloxolan-3-amine
SMILESC=CCCNC1CCOC1C1CC1
InChIInChI=1S/C11H19NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h2,9-12H,1,3-8H2
InChIKeyVPALXVKIZSTHCJ-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-but-3-enyl-2-cyclopropyloxolan-3-amine (CID 103580872) is N-but-3-enyl-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-but-3-enyl-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-but-3-enyl-2-cyclopropyloxolan-3-amine is C=CCCNC1CCOC1C1CC1.
What is the InChIKey of N-but-3-enyl-2-cyclopropyloxolan-3-amine?
The InChIKey is VPALXVKIZSTHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-7-12-10-6-8-13-11(10)9-4-5-9/h2,9-12H,1,3-8H2.
What are the key properties of N-but-3-enyl-2-cyclopropyloxolan-3-amine?
N-but-3-enyl-2-cyclopropyloxolan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).