5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide

C8H14NO2P — CID 88889664

IUPAC5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide
SMILESC#CC1CCP(=O)(OC)N(C)C1
InChIInChI=1S/C8H14NO2P/c1-4-8-5-6-12(10,11-3)9(2)7-8/h1,8H,5-7H2,2-3H3
InChIKeyUPANVRCJZUQMKN-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.41
Rot. Bonds1

About 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide

5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide (PubChem CID 88889664) has the molecular formula C8H14NO2P and a molecular weight of 187.18 g/mol. Its IUPAC name is 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide.

Molecular Properties

Compound Name5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide
PubChem CID88889664
Molecular FormulaC8H14NO2P
Molecular Weight187.18 g/mol
Exact Mass187.08
IUPAC Name5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide
SMILESC#CC1CCP(=O)(OC)N(C)C1
InChIInChI=1S/C8H14NO2P/c1-4-8-5-6-12(10,11-3)9(2)7-8/h1,8H,5-7H2,2-3H3
InChIKeyUPANVRCJZUQMKN-UHFFFAOYSA-N
XLogP1.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1-methoxy-1λ5-phosphinane 1-oxide
CID 88889648
3-ethynyl-1-methylpyrrolidine
CID 89319838
3-ethynyl-1-methyl-1λ5-phospholane 1-oxide
CID 89445711
3-ethynyl-1-methylpiperidine
CID 13266410
5-ethynyl-3-methyl-2-methylsulfanyl-1,3,2λ5-thiazaphosphinane 2-oxide
CID 89446062
(3R)-3-ethynyl-1-propan-2-ylpyrrolidine
CID 58029510
4-ethynyl-2-fluoro-1-methoxy-1λ5-phospholane 1-oxide
CID 89446451
4-ethynyl-2-methyl-1-sulfanylidenethiazinane 1-oxide
CID 88889632
4-ethynyl-2-methoxy-1-methyl-5H-1,2λ5-azaphosphole 2-oxide
CID 88890199
6-ethynyl-2-methoxy-1,2λ5-thiaphosphinane 2-oxide
CID 89445887
6-ethynyl-2-methoxy-5-methyl-1,2λ5-oxaphosphinane 2-oxide
CID 88889891
4-ethynyl-1-hydroxy-1-sulfanylidene-1λ5-phosphinane
CID 89441929

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide?
The IUPAC name of 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide (CID 88889664) is 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide.
What is the SMILES notation for 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide?
The canonical SMILES for 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide is C#CC1CCP(=O)(OC)N(C)C1.
What is the InChIKey of 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide?
The InChIKey is UPANVRCJZUQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2P/c1-4-8-5-6-12(10,11-3)9(2)7-8/h1,8H,5-7H2,2-3H3.
What are the key properties of 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide?
5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide has a molecular weight of 187.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methoxy-1-methyl-1,2λ5-azaphosphinane 2-oxide is sourced from PubChem (CID 88889664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).