carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C9H13N2O+ — CID 160931640

IUPACcarbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCc2nccc(=O)n21.[CH3+]
InChIInChI=1S/C8H10N2O.CH3/c1-6-2-3-7-9-5-4-8(11)10(6)7;/h4-6H,2-3H2,1H3;1H3/q;+1/t6-;/m1./s1
InChIKeySTIRMVYWPDSDOZ-FYZOBXCZSA-N
MW165.22 g/mol
LogP1.20
Rot. Bonds

About carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 160931640) has the molecular formula C9H13N2O+ and a molecular weight of 165.22 g/mol. Its IUPAC name is carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Namecarbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID160931640
Molecular FormulaC9H13N2O+
Molecular Weight165.22 g/mol
Exact Mass165.10
IUPAC Namecarbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CCc2nccc(=O)n21.[CH3+]
InChIInChI=1S/C8H10N2O.CH3/c1-6-2-3-7-9-5-4-8(11)10(6)7;/h4-6H,2-3H2,1H3;1H3/q;+1/t6-;/m1./s1
InChIKeySTIRMVYWPDSDOZ-FYZOBXCZSA-N
XLogP1.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7,8,9-Tetrahydro-6-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 208417
2-Methyl-4h,6h,7h,8h-pyrrolo[1,2-a]pyrimidin-4-one
CID 1571397
6-Methyl-7,8-dihydropyrrolo[1,2-a]pyrimidin-4(6H)-one
CID 10725517
7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 15263479
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 20438513
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
6-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carbonitrile
CID 20438536
CID 58125066
CID 58125066
6-propan-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58125140
(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58681908
(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 93500089
6-propanoyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 117661814

Frequently Asked Questions

What is the IUPAC name of carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 160931640) is carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is C[C@@H]1CCc2nccc(=O)n21.[CH3+].
What is the InChIKey of carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is STIRMVYWPDSDOZ-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10N2O.CH3/c1-6-2-3-7-9-5-4-8(11)10(6)7;/h4-6H,2-3H2,1H3;1H3/q;+1/t6-;/m1./s1.
What are the key properties of carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 165.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;(6R)-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 160931640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).