5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile

C15H18N3O2P — CID 170112980

IUPAC5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile
SMILESCPn1cnc2c1CCOC21C=C(C#N)C(=O)C(C)(C)C1
InChIInChI=1S/C15H18N3O2P/c1-14(2)8-15(6-10(7-16)13(14)19)12-11(4-5-20-15)18(21-3)9-17-12/h6,9,21H,4-5,8H2,1-3H3
InChIKeyDBGRQBGPTFBJFP-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.17
Rot. Bonds1

About 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile

5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile (PubChem CID 170112980) has the molecular formula C15H18N3O2P and a molecular weight of 303.30 g/mol. Its IUPAC name is 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile.

Molecular Properties

Compound Name5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile
PubChem CID170112980
Molecular FormulaC15H18N3O2P
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC Name5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile
SMILESCPn1cnc2c1CCOC21C=C(C#N)C(=O)C(C)(C)C1
InChIInChI=1S/C15H18N3O2P/c1-14(2)8-15(6-10(7-16)13(14)19)12-11(4-5-20-15)18(21-3)9-17-12/h6,9,21H,4-5,8H2,1-3H3
InChIKeyDBGRQBGPTFBJFP-UHFFFAOYSA-N
XLogP2.17
TPSA67.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,5',5'-trimethyl-6'-oxospiro[1H-2-benzofuran-3,3'-cyclohexene]-1'-carbonitrile
CID 162441632
(1S)-1,5',5'-trimethyl-6'-oxospiro[1H-2-benzofuran-3,3'-cyclohexene]-1'-carbonitrile
CID 162442309
3-(aminomethyl)-3,5,5-trimethyl-6-oxocyclohexene-1-carbonitrile
CID 162441856
8,8-dimethyl-4-(1-methylpyrazol-4-yl)-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442325
4-[2-(5-chloro-2-pyridinyl)cyclopropanecarbonyl]-8,8-dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 169023949
3,4-bis(ethenyl)-8,8-dimethyl-9-oxo-1-oxaspiro[5.5]undeca-3,10-diene-10-carbonitrile
CID 162442087
(3S)-3-methoxy-5,5-dimethyl-6-oxo-3-(3-propyl-2-pyridinyl)cyclohexene-1-carbonitrile
CID 155227146
3-methoxy-5,5-dimethyl-3-(methylaminomethyl)-6-oxocyclohexene-1-carbonitrile
CID 162442238
4-(1,3-benzoxazole-6-carbonyl)-8,8-dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162441925
8,8-dimethyl-9-oxo-4-(pyrazolo[1,5-a]pyrimidine-3-carbonyl)-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442084
8,8-dimethyl-2-(5-methyl-1,3,4-thiadiazole-2-carbonyl)-7-oxo-2-azaspiro[3.5]non-5-ene-6-carbonitrile
CID 162441990
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyridine-2-carbonyl)-8,8-dimethyl-9-oxo-1-oxa-4-azaspiro[5.5]undec-10-ene-10-carbonitrile
CID 162442237

Frequently Asked Questions

What is the IUPAC name of 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile?
The IUPAC name of 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile (CID 170112980) is 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile.
What is the SMILES notation for 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile?
The canonical SMILES for 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile is CPn1cnc2c1CCOC21C=C(C#N)C(=O)C(C)(C)C1.
What is the InChIKey of 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile?
The InChIKey is DBGRQBGPTFBJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3O2P/c1-14(2)8-15(6-10(7-16)13(14)19)12-11(4-5-20-15)18(21-3)9-17-12/h6,9,21H,4-5,8H2,1-3H3.
What are the key properties of 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile?
5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile has a molecular weight of 303.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-dimethyl-1-methylphosphanyl-6'-oxospiro[6,7-dihydropyrano[3,4-d]imidazole-4,3'-cyclohexene]-1'-carbonitrile is sourced from PubChem (CID 170112980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).