2-methyl-2-prop-1-ynylmorpholine

C8H13NO — CID 118971677

IUPAC2-methyl-2-prop-1-ynylmorpholine
SMILESCC#CC1(C)CNCCO1
InChIInChI=1S/C8H13NO/c1-3-4-8(2)7-9-5-6-10-8/h9H,5-7H2,1-2H3
InChIKeyNCZBOTVFXHISRC-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.39
Rot. Bonds

About 2-methyl-2-prop-1-ynylmorpholine

2-methyl-2-prop-1-ynylmorpholine (PubChem CID 118971677) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-methyl-2-prop-1-ynylmorpholine.

Molecular Properties

Compound Name2-methyl-2-prop-1-ynylmorpholine
PubChem CID118971677
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-methyl-2-prop-1-ynylmorpholine
SMILESCC#CC1(C)CNCCO1
InChIInChI=1S/C8H13NO/c1-3-4-8(2)7-9-5-6-10-8/h9H,5-7H2,1-2H3
InChIKeyNCZBOTVFXHISRC-UHFFFAOYSA-N
XLogP0.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-1-ynylmorpholine?
The IUPAC name of 2-methyl-2-prop-1-ynylmorpholine (CID 118971677) is 2-methyl-2-prop-1-ynylmorpholine.
What is the SMILES notation for 2-methyl-2-prop-1-ynylmorpholine?
The canonical SMILES for 2-methyl-2-prop-1-ynylmorpholine is CC#CC1(C)CNCCO1.
What is the InChIKey of 2-methyl-2-prop-1-ynylmorpholine?
The InChIKey is NCZBOTVFXHISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-4-8(2)7-9-5-6-10-8/h9H,5-7H2,1-2H3.
What are the key properties of 2-methyl-2-prop-1-ynylmorpholine?
2-methyl-2-prop-1-ynylmorpholine has a molecular weight of 139.20 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-1-ynylmorpholine is sourced from PubChem (CID 118971677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).