1,3-dihydroperimidin-2-one

C11H8N2O — CID 4247789

IUPAC1,3-dihydroperimidin-2-one
SMILESO=C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C11H8N2O/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
InChIKeyNKEWBOPVULFSFJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.80
Rot. Bonds

About 1,3-dihydroperimidin-2-one

1,3-dihydroperimidin-2-one (PubChem CID 4247789) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,3-dihydroperimidin-2-one.

Molecular Properties

Compound Name1,3-dihydroperimidin-2-one
PubChem CID4247789
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name1,3-dihydroperimidin-2-one
SMILESO=C1Nc2cccc3cccc(c23)N1
InChIInChI=1S/C11H8N2O/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14)
InChIKeyNKEWBOPVULFSFJ-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroperimidin-2-one?
The IUPAC name of 1,3-dihydroperimidin-2-one (CID 4247789) is 1,3-dihydroperimidin-2-one.
What is the SMILES notation for 1,3-dihydroperimidin-2-one?
The canonical SMILES for 1,3-dihydroperimidin-2-one is O=C1Nc2cccc3cccc(c23)N1.
What is the InChIKey of 1,3-dihydroperimidin-2-one?
The InChIKey is NKEWBOPVULFSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-12-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H,(H2,12,13,14).
What are the key properties of 1,3-dihydroperimidin-2-one?
1,3-dihydroperimidin-2-one has a molecular weight of 184.20 g/mol, XLogP of 2.80, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroperimidin-2-one is sourced from PubChem (CID 4247789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).