4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile

C11H10N4O — CID 135449211

IUPAC4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile
SMILESN#Cc1c2n(c3c(=O)[nH]cnc13)CCCC2
InChIInChI=1S/C11H10N4O/c12-5-7-8-3-1-2-4-15(8)10-9(7)13-6-14-11(10)16/h6H,1-4H2,(H,13,14,16)
InChIKeyCXTBEDSXDOCTHE-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.93
Rot. Bonds

About 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile

4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile (PubChem CID 135449211) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile.

Molecular Properties

Compound Name4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile
PubChem CID135449211
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile
SMILESN#Cc1c2n(c3c(=O)[nH]cnc13)CCCC2
InChIInChI=1S/C11H10N4O/c12-5-7-8-3-1-2-4-15(8)10-9(7)13-6-14-11(10)16/h6H,1-4H2,(H,13,14,16)
InChIKeyCXTBEDSXDOCTHE-UHFFFAOYSA-N
XLogP0.93
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 759944
1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 155553481
2-Methyl-4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164622485
4-Oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164626063
3-Benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 755498
methyl (10-cyano-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3(4H)-yl)acetate
CID 741274
4-oxo-4,6,7,8,9,10-hexahydro-3H-pyrimido[4',5':4,5]pyrrolo[1,2-a]azepine-11-carbonitrile
CID 135400592
4-oxo-4,6,7,8-tetrahydro-3H-pyrimido[4,5-b]pyrrolizine-9-carbonitrile
CID 136232188
(10-cyano-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizin-3(4H)-yl)acetic acid
CID 5111969
2-amino-1-cyano-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 393847
3-Benzoylmethyl-7-cyano-5,6-tetramethylene-3,4-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 793977
4-Oxo-4,5,6,7-tetrahydro-3H-pyrimido[5,4-a]pyrrolizine-9-carbonitrile
CID 135400597

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile?
The IUPAC name of 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile (CID 135449211) is 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile.
What is the SMILES notation for 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile?
The canonical SMILES for 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile is N#Cc1c2n(c3c(=O)[nH]cnc13)CCCC2.
What is the InChIKey of 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile?
The InChIKey is CXTBEDSXDOCTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-5-7-8-3-1-2-4-15(8)10-9(7)13-6-14-11(10)16/h6H,1-4H2,(H,13,14,16).
What are the key properties of 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile?
4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile has a molecular weight of 214.23 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6,7,8,9-tetrahydro-3H-pyrimido[4,5-b]indolizine-10-carbonitrile is sourced from PubChem (CID 135449211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).