2-(cyclobuten-1-yl)morpholine

C8H13NO — CID 174603550

IUPAC2-(cyclobuten-1-yl)morpholine
SMILESC1=C(C2CNCCO2)CC1
InChIInChI=1S/C8H13NO/c1-2-7(3-1)8-6-9-4-5-10-8/h2,8-9H,1,3-6H2
InChIKeyDIPRYELPYQDFPF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds1

About 2-(cyclobuten-1-yl)morpholine

2-(cyclobuten-1-yl)morpholine (PubChem CID 174603550) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(cyclobuten-1-yl)morpholine.

Molecular Properties

Compound Name2-(cyclobuten-1-yl)morpholine
PubChem CID174603550
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-(cyclobuten-1-yl)morpholine
SMILESC1=C(C2CNCCO2)CC1
InChIInChI=1S/C8H13NO/c1-2-7(3-1)8-6-9-4-5-10-8/h2,8-9H,1,3-6H2
InChIKeyDIPRYELPYQDFPF-UHFFFAOYSA-N
XLogP0.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Cyclopentenylmorpholine
CID 21924037
2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)morpholine
CID 69965133
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
CID 118312426
2-(2-Methylprop-1-enyl)morpholine
CID 67801913
2-[(E)-hept-3-en-4-yl]morpholine
CID 68588038
2-Hept-3-en-4-ylmorpholine
CID 68588043
2-[(E)-oct-3-en-4-yl]morpholine
CID 68588523
2-Oct-3-en-4-ylmorpholine
CID 68588529
2-But-1-enyl-2-butylmorpholine
CID 68588532
2-[(E)-pent-2-en-2-yl]morpholine
CID 68590208
2-Pent-2-en-2-ylmorpholine
CID 68590213
2-Pent-1-en-2-ylmorpholine
CID 68590326

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobuten-1-yl)morpholine?
The IUPAC name of 2-(cyclobuten-1-yl)morpholine (CID 174603550) is 2-(cyclobuten-1-yl)morpholine.
What is the SMILES notation for 2-(cyclobuten-1-yl)morpholine?
The canonical SMILES for 2-(cyclobuten-1-yl)morpholine is C1=C(C2CNCCO2)CC1.
What is the InChIKey of 2-(cyclobuten-1-yl)morpholine?
The InChIKey is DIPRYELPYQDFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-7(3-1)8-6-9-4-5-10-8/h2,8-9H,1,3-6H2.
What are the key properties of 2-(cyclobuten-1-yl)morpholine?
2-(cyclobuten-1-yl)morpholine has a molecular weight of 139.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobuten-1-yl)morpholine is sourced from PubChem (CID 174603550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).