2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide

C11H22NOP — CID 171590791

IUPAC2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide
SMILESCC(C)C12CCCN1CCP(C)(=O)C2
InChIInChI=1S/C11H22NOP/c1-10(2)11-5-4-6-12(11)7-8-14(3,13)9-11/h10H,4-9H2,1-3H3
InChIKeyXNORQBKDWCTOLK-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.48
Rot. Bonds1

About 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide

2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide (PubChem CID 171590791) has the molecular formula C11H22NOP and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide.

Molecular Properties

Compound Name2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide
PubChem CID171590791
Molecular FormulaC11H22NOP
Molecular Weight215.28 g/mol
Exact Mass215.14
IUPAC Name2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide
SMILESCC(C)C12CCCN1CCP(C)(=O)C2
InChIInChI=1S/C11H22NOP/c1-10(2)11-5-4-6-12(11)7-8-14(3,13)9-11/h10H,4-9H2,1-3H3
InChIKeyXNORQBKDWCTOLK-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-propan-2-ylcyclopentyl)piperazine
CID 83818772
1-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethoxyphosphane;tungsten
CID 169041366
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
2-(1-azabicyclo[3.2.0]heptan-5-yl)propan-1-ol
CID 173103072
1-(1-pyrrolidin-1-ylcyclobutyl)ethanamine
CID 115013494
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170689578
2'-fluoro-8-propan-2-ylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170421918
CID 175625806
CID 175625806
4-(4-propan-2-ylpiperidin-4-yl)thiomorpholine
CID 165471273
2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170771511
2-methyl-N-propyl-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-amine
CID 79445412
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide?
The IUPAC name of 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide (CID 171590791) is 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide.
What is the SMILES notation for 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide?
The canonical SMILES for 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide is CC(C)C12CCCN1CCP(C)(=O)C2.
What is the InChIKey of 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide?
The InChIKey is XNORQBKDWCTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NOP/c1-10(2)11-5-4-6-12(11)7-8-14(3,13)9-11/h10H,4-9H2,1-3H3.
What are the key properties of 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide?
2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide has a molecular weight of 215.28 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8a-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a][1,4]azaphosphinine 2-oxide is sourced from PubChem (CID 171590791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).