4-(cyclobuten-1-yl)-2,3-dihydroazete

C7H9N — CID 88598916

IUPAC4-(cyclobuten-1-yl)-2,3-dihydroazete
SMILESC1=C(C2=NCC2)CC1
InChIInChI=1S/C7H9N/c1-2-6(3-1)7-4-5-8-7/h2H,1,3-5H2
InChIKeyQZLCUZJJKWXJBD-UHFFFAOYSA-N
MW107.16 g/mol
LogP1.55
Rot. Bonds1

About 4-(cyclobuten-1-yl)-2,3-dihydroazete

4-(cyclobuten-1-yl)-2,3-dihydroazete (PubChem CID 88598916) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is 4-(cyclobuten-1-yl)-2,3-dihydroazete.

Molecular Properties

Compound Name4-(cyclobuten-1-yl)-2,3-dihydroazete
PubChem CID88598916
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Name4-(cyclobuten-1-yl)-2,3-dihydroazete
SMILESC1=C(C2=NCC2)CC1
InChIInChI=1S/C7H9N/c1-2-6(3-1)7-4-5-8-7/h2H,1,3-5H2
InChIKeyQZLCUZJJKWXJBD-UHFFFAOYSA-N
XLogP1.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobuten-1-yl)-2,3-dihydroazete?
The IUPAC name of 4-(cyclobuten-1-yl)-2,3-dihydroazete (CID 88598916) is 4-(cyclobuten-1-yl)-2,3-dihydroazete.
What is the SMILES notation for 4-(cyclobuten-1-yl)-2,3-dihydroazete?
The canonical SMILES for 4-(cyclobuten-1-yl)-2,3-dihydroazete is C1=C(C2=NCC2)CC1.
What is the InChIKey of 4-(cyclobuten-1-yl)-2,3-dihydroazete?
The InChIKey is QZLCUZJJKWXJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N/c1-2-6(3-1)7-4-5-8-7/h2H,1,3-5H2.
What are the key properties of 4-(cyclobuten-1-yl)-2,3-dihydroazete?
4-(cyclobuten-1-yl)-2,3-dihydroazete has a molecular weight of 107.16 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobuten-1-yl)-2,3-dihydroazete is sourced from PubChem (CID 88598916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).