1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile

C10H8N4O — CID 135400597

IUPAC1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile
SMILESN#Cc1c2nc[nH]c(=O)c2c2n1CCC2
InChIInChI=1S/C10H8N4O/c11-4-7-9-8(10(15)13-5-12-9)6-2-1-3-14(6)7/h5H,1-3H2,(H,12,13,15)
InChIKeyMOGIDZDCYTXZLS-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.54
Rot. Bonds

About 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile

1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile (PubChem CID 135400597) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile.

Molecular Properties

Compound Name1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile
PubChem CID135400597
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile
SMILESN#Cc1c2nc[nH]c(=O)c2c2n1CCC2
InChIInChI=1S/C10H8N4O/c11-4-7-9-8(10(15)13-5-12-9)6-2-1-3-14(6)7/h5H,1-3H2,(H,12,13,15)
InChIKeyMOGIDZDCYTXZLS-UHFFFAOYSA-N
XLogP0.54
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimido[4,5-b]indolizine-10-carbonitrile, 1,4,6,7,8,9-hexahydro-4-oxo-
CID 135449211
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
6-amino-5-(aminocarbothioyl)-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 5113491
6-amino-N-benzyl-5-cyano-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 13929293
N-[2-(7-cyano-6-cyclopropyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2,2,2-trifluoroacetamide
CID 136375214
N-[2-(7-cyano-6-methyl-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-5-yl)ethyl]-2,2,2-trifluoroacetamide
CID 136382131
N-benzyl-5-cyano-6-{[(dimethylamino)methylene]amino}-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 5347115
2-(2-hydroxyimino-2-phenylethyl)-1-oxo-8,9-dihydro-7H-pyrimido[5,4-a]pyrrolizine-5-carbonitrile
CID 6326586
5-cyano-N-[(dimethylamino)methylene]-6-{[(dimethylamino)methylene]amino}-2,3-dihydro-1H-pyrrolizine-7-carboxamide
CID 7203859
2-amino-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 59067780
3-Oxo-1,4,6-triazatricyclo[7.6.0.02,7]pentadeca-2(7),5,8-triene-8-carbonitrile
CID 135463023

Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile?
The IUPAC name of 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile (CID 135400597) is 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile.
What is the SMILES notation for 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile?
The canonical SMILES for 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile is N#Cc1c2nc[nH]c(=O)c2c2n1CCC2.
What is the InChIKey of 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile?
The InChIKey is MOGIDZDCYTXZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-4-7-9-8(10(15)13-5-12-9)6-2-1-3-14(6)7/h5H,1-3H2,(H,12,13,15).
What are the key properties of 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile?
1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile has a molecular weight of 200.20 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,7,8,9-tetrahydropyrimido[5,4-a]pyrrolizine-5-carbonitrile is sourced from PubChem (CID 135400597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).