2-pent-1-enylmorpholine

C9H17NO — CID 68590333

IUPAC2-pent-1-enylmorpholine
SMILESCCCC=CC1CNCCO1
InChIInChI=1S/C9H17NO/c1-2-3-4-5-9-8-10-6-7-11-9/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyKSJCDHDVCTWMRV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 2-pent-1-enylmorpholine

2-pent-1-enylmorpholine (PubChem CID 68590333) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-pent-1-enylmorpholine.

Molecular Properties

Compound Name2-pent-1-enylmorpholine
PubChem CID68590333
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-pent-1-enylmorpholine
SMILESCCCC=CC1CNCCO1
InChIInChI=1S/C9H17NO/c1-2-3-4-5-9-8-10-6-7-11-9/h4-5,9-10H,2-3,6-8H2,1H3
InChIKeyKSJCDHDVCTWMRV-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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-pent-1-enylmorpholine?
The IUPAC name of 2-pent-1-enylmorpholine (CID 68590333) is 2-pent-1-enylmorpholine.
What is the SMILES notation for 2-pent-1-enylmorpholine?
The canonical SMILES for 2-pent-1-enylmorpholine is CCCC=CC1CNCCO1.
What is the InChIKey of 2-pent-1-enylmorpholine?
The InChIKey is KSJCDHDVCTWMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-9-8-10-6-7-11-9/h4-5,9-10H,2-3,6-8H2,1H3.
What are the key properties of 2-pent-1-enylmorpholine?
2-pent-1-enylmorpholine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-enylmorpholine is sourced from PubChem (CID 68590333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).