N-prop-2-enyloxetan-3-amine;hydrochloride

C6H12ClNO — CID 71432676

IUPACN-prop-2-enyloxetan-3-amine;hydrochloride
SMILESC=CCNC1COC1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-3-7-6-4-8-5-6;/h2,6-7H,1,3-5H2;1H
InChIKeySVQSDZZTRLQAPX-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.58
Rot. Bonds3

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

N-prop-2-enyloxetan-3-amine;hydrochloride (PubChem CID 71432676) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is N-prop-2-enyloxetan-3-amine;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enyloxetan-3-amine;hydrochloride
PubChem CID71432676
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC NameN-prop-2-enyloxetan-3-amine;hydrochloride
SMILESC=CCNC1COC1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-3-7-6-4-8-5-6;/h2,6-7H,1,3-5H2;1H
InChIKeySVQSDZZTRLQAPX-UHFFFAOYSA-N
XLogP0.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.58
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;hydrochloride?
The IUPAC name of N-prop-2-enyloxetan-3-amine;hydrochloride (CID 71432676) is N-prop-2-enyloxetan-3-amine;hydrochloride.
What is the SMILES notation for N-prop-2-enyloxetan-3-amine;hydrochloride?
The canonical SMILES for N-prop-2-enyloxetan-3-amine;hydrochloride is C=CCNC1COC1.Cl.
What is the InChIKey of N-prop-2-enyloxetan-3-amine;hydrochloride?
The InChIKey is SVQSDZZTRLQAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-3-7-6-4-8-5-6;/h2,6-7H,1,3-5H2;1H.
What are the key properties of N-prop-2-enyloxetan-3-amine;hydrochloride?
N-prop-2-enyloxetan-3-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.58, 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;hydrochloride is sourced from PubChem (CID 71432676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).