2-hept-3-en-4-ylmorpholine

C11H21NO — CID 68588043

IUPAC2-hept-3-en-4-ylmorpholine
SMILESCCC=C(CCC)C1CNCCO1
InChIInChI=1S/C11H21NO/c1-3-5-10(6-4-2)11-9-12-7-8-13-11/h5,11-12H,3-4,6-9H2,1-2H3
InChIKeyGJGPCJXRVGPDLA-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About 2-hept-3-en-4-ylmorpholine

2-hept-3-en-4-ylmorpholine (PubChem CID 68588043) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-hept-3-en-4-ylmorpholine.

Molecular Properties

Compound Name2-hept-3-en-4-ylmorpholine
PubChem CID68588043
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-hept-3-en-4-ylmorpholine
SMILESCCC=C(CCC)C1CNCCO1
InChIInChI=1S/C11H21NO/c1-3-5-10(6-4-2)11-9-12-7-8-13-11/h5,11-12H,3-4,6-9H2,1-2H3
InChIKeyGJGPCJXRVGPDLA-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
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 2-hept-3-en-4-ylmorpholine?
The IUPAC name of 2-hept-3-en-4-ylmorpholine (CID 68588043) is 2-hept-3-en-4-ylmorpholine.
What is the SMILES notation for 2-hept-3-en-4-ylmorpholine?
The canonical SMILES for 2-hept-3-en-4-ylmorpholine is CCC=C(CCC)C1CNCCO1.
What is the InChIKey of 2-hept-3-en-4-ylmorpholine?
The InChIKey is GJGPCJXRVGPDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-10(6-4-2)11-9-12-7-8-13-11/h5,11-12H,3-4,6-9H2,1-2H3.
What are the key properties of 2-hept-3-en-4-ylmorpholine?
2-hept-3-en-4-ylmorpholine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-3-en-4-ylmorpholine is sourced from PubChem (CID 68588043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).