1-prop-1-en-2-ylazetidine

C6H11N — CID 15413086

IUPAC1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CCC1
InChIInChI=1S/C6H11N/c1-6(2)7-4-3-5-7/h1,3-5H2,2H3
InChIKeyNLQIYOLRBNMSJT-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.23
Rot. Bonds1

About 1-prop-1-en-2-ylazetidine

1-prop-1-en-2-ylazetidine (PubChem CID 15413086) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is 1-prop-1-en-2-ylazetidine.

Molecular Properties

Compound Name1-prop-1-en-2-ylazetidine
PubChem CID15413086
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name1-prop-1-en-2-ylazetidine
SMILESC=C(C)N1CCC1
InChIInChI=1S/C6H11N/c1-6(2)7-4-3-5-7/h1,3-5H2,2H3
InChIKeyNLQIYOLRBNMSJT-UHFFFAOYSA-N
XLogP1.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylazetidine?
The IUPAC name of 1-prop-1-en-2-ylazetidine (CID 15413086) is 1-prop-1-en-2-ylazetidine.
What is the SMILES notation for 1-prop-1-en-2-ylazetidine?
The canonical SMILES for 1-prop-1-en-2-ylazetidine is C=C(C)N1CCC1.
What is the InChIKey of 1-prop-1-en-2-ylazetidine?
The InChIKey is NLQIYOLRBNMSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-6(2)7-4-3-5-7/h1,3-5H2,2H3.
What are the key properties of 1-prop-1-en-2-ylazetidine?
1-prop-1-en-2-ylazetidine has a molecular weight of 97.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylazetidine is sourced from PubChem (CID 15413086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).