N-prop-2-enyloxetan-3-amine

C6H11NO — CID 63624368

IUPACN-prop-2-enyloxetan-3-amine
SMILESC=CCNC1COC1
InChIInChI=1S/C6H11NO/c1-2-3-7-6-4-8-5-6/h2,6-7H,1,3-5H2
InChIKeyGLDZBFYPNRVXDY-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.16
Rot. Bonds3

About N-prop-2-enyloxetan-3-amine

N-prop-2-enyloxetan-3-amine (PubChem CID 63624368) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-prop-2-enyloxetan-3-amine.

Molecular Properties

Compound NameN-prop-2-enyloxetan-3-amine
PubChem CID63624368
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-prop-2-enyloxetan-3-amine
SMILESC=CCNC1COC1
InChIInChI=1S/C6H11NO/c1-2-3-7-6-4-8-5-6/h2,6-7H,1,3-5H2
InChIKeyGLDZBFYPNRVXDY-UHFFFAOYSA-N
XLogP0.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.16
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 N-prop-2-enyloxetan-3-amine?
The IUPAC name of N-prop-2-enyloxetan-3-amine (CID 63624368) is N-prop-2-enyloxetan-3-amine.
What is the SMILES notation for N-prop-2-enyloxetan-3-amine?
The canonical SMILES for N-prop-2-enyloxetan-3-amine is C=CCNC1COC1.
What is the InChIKey of N-prop-2-enyloxetan-3-amine?
The InChIKey is GLDZBFYPNRVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-3-7-6-4-8-5-6/h2,6-7H,1,3-5H2.
What are the key properties of N-prop-2-enyloxetan-3-amine?
N-prop-2-enyloxetan-3-amine has a molecular weight of 113.16 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyloxetan-3-amine is sourced from PubChem (CID 63624368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).