1H-pyrrolo[1,2-a]pyrimidin-2-one

C7H6N2O — CID 18619702

IUPAC1H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=c1ccn2cccc2[nH]1
InChIInChI=1S/C7H6N2O/c10-7-3-5-9-4-1-2-6(9)8-7/h1-5H,(H,8,10)
InChIKeyYXWVHJSAAGVQMQ-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.63
Rot. Bonds

About 1H-pyrrolo[1,2-a]pyrimidin-2-one

1H-pyrrolo[1,2-a]pyrimidin-2-one (PubChem CID 18619702) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 1H-pyrrolo[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name1H-pyrrolo[1,2-a]pyrimidin-2-one
PubChem CID18619702
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name1H-pyrrolo[1,2-a]pyrimidin-2-one
SMILESO=c1ccn2cccc2[nH]1
InChIInChI=1S/C7H6N2O/c10-7-3-5-9-4-1-2-6(9)8-7/h1-5H,(H,8,10)
InChIKeyYXWVHJSAAGVQMQ-UHFFFAOYSA-N
XLogP0.63
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 24888096
1,7-Dihydro-6H-pyrrolo(2,3-b)pyridin-6-one
CID 11528350
N-(1-methylpyrrol-2-yl)formamide
CID 17888963
1H-Pyrrolo[1,2-A]imidazol-2(3H)-one
CID 45087127
N-(1H-pyrrol-2-yl)formamide
CID 54492709
Acetylaminoazole
CID 57140748
Ureidopyrrole
CID 68657670
Azolo[5,1-c]-1,2,4-triazin-4-one
CID 129750828
3-Oxopyrrolo[1,2-a]imidazole
CID 166450450
2-chloro-7-fluoro-3H-pyrrolo[1,2-a][1,3,5]triazin-4-one
CID 137310615
5-fluoro-3-(1H-pyrrol-2-yl)-1H-pyrimidine-2,4-dione
CID 141273810
7-(trifluoromethyl)-1H-pyrrolo[2,3-d]pyrimidin-2-one
CID 171099043

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[1,2-a]pyrimidin-2-one?
The IUPAC name of 1H-pyrrolo[1,2-a]pyrimidin-2-one (CID 18619702) is 1H-pyrrolo[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 1H-pyrrolo[1,2-a]pyrimidin-2-one?
The canonical SMILES for 1H-pyrrolo[1,2-a]pyrimidin-2-one is O=c1ccn2cccc2[nH]1.
What is the InChIKey of 1H-pyrrolo[1,2-a]pyrimidin-2-one?
The InChIKey is YXWVHJSAAGVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c10-7-3-5-9-4-1-2-6(9)8-7/h1-5H,(H,8,10).
What are the key properties of 1H-pyrrolo[1,2-a]pyrimidin-2-one?
1H-pyrrolo[1,2-a]pyrimidin-2-one has a molecular weight of 134.14 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 18619702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).