1-but-1-en-2-ylazetidine;ethane

C9H19N — CID 171523171

IUPAC1-but-1-en-2-ylazetidine;ethane
SMILESC=C(CC)N1CCC1.CC
InChIInChI=1S/C7H13N.C2H6/c1-3-7(2)8-5-4-6-8;1-2/h2-6H2,1H3;1-2H3
InChIKeyXNIYCMOJRUXPTI-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds2

About 1-but-1-en-2-ylazetidine;ethane

1-but-1-en-2-ylazetidine;ethane (PubChem CID 171523171) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 1-but-1-en-2-ylazetidine;ethane.

Molecular Properties

Compound Name1-but-1-en-2-ylazetidine;ethane
PubChem CID171523171
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name1-but-1-en-2-ylazetidine;ethane
SMILESC=C(CC)N1CCC1.CC
InChIInChI=1S/C7H13N.C2H6/c1-3-7(2)8-5-4-6-8;1-2/h2-6H2,1H3;1-2H3
InChIKeyXNIYCMOJRUXPTI-UHFFFAOYSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-ylazetidine;ethane?
The IUPAC name of 1-but-1-en-2-ylazetidine;ethane (CID 171523171) is 1-but-1-en-2-ylazetidine;ethane.
What is the SMILES notation for 1-but-1-en-2-ylazetidine;ethane?
The canonical SMILES for 1-but-1-en-2-ylazetidine;ethane is C=C(CC)N1CCC1.CC.
What is the InChIKey of 1-but-1-en-2-ylazetidine;ethane?
The InChIKey is XNIYCMOJRUXPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-3-7(2)8-5-4-6-8;1-2/h2-6H2,1H3;1-2H3.
What are the key properties of 1-but-1-en-2-ylazetidine;ethane?
1-but-1-en-2-ylazetidine;ethane has a molecular weight of 141.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylazetidine;ethane is sourced from PubChem (CID 171523171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).