2-prop-1-enylmorpholine

C7H13NO — CID 68592425

IUPAC2-prop-1-enylmorpholine
SMILESCC=CC1CNCCO1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-8-4-5-9-7/h2-3,7-8H,4-6H2,1H3
InChIKeyWQGJGBCCLHILNT-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds1

About 2-prop-1-enylmorpholine

2-prop-1-enylmorpholine (PubChem CID 68592425) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-prop-1-enylmorpholine.

Molecular Properties

Compound Name2-prop-1-enylmorpholine
PubChem CID68592425
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-prop-1-enylmorpholine
SMILESCC=CC1CNCCO1
InChIInChI=1S/C7H13NO/c1-2-3-7-6-8-4-5-9-7/h2-3,7-8H,4-6H2,1H3
InChIKeyWQGJGBCCLHILNT-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
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-prop-1-enylmorpholine?
The IUPAC name of 2-prop-1-enylmorpholine (CID 68592425) is 2-prop-1-enylmorpholine.
What is the SMILES notation for 2-prop-1-enylmorpholine?
The canonical SMILES for 2-prop-1-enylmorpholine is CC=CC1CNCCO1.
What is the InChIKey of 2-prop-1-enylmorpholine?
The InChIKey is WQGJGBCCLHILNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-7-6-8-4-5-9-7/h2-3,7-8H,4-6H2,1H3.
What are the key properties of 2-prop-1-enylmorpholine?
2-prop-1-enylmorpholine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enylmorpholine is sourced from PubChem (CID 68592425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).