1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone

C8H12N2O — CID 68849603

IUPAC1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1C=CN1)N1CCCC1
InChIInChI=1S/C8H12N2O/c11-8(7-3-4-9-7)10-5-1-2-6-10/h3-4,7,9H,1-2,5-6H2
InChIKeyNEWWNRLIGGZKFC-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.09
Rot. Bonds1

About 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone

1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone (PubChem CID 68849603) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone
PubChem CID68849603
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1C=CN1)N1CCCC1
InChIInChI=1S/C8H12N2O/c11-8(7-3-4-9-7)10-5-1-2-6-10/h3-4,7,9H,1-2,5-6H2
InChIKeyNEWWNRLIGGZKFC-UHFFFAOYSA-N
XLogP0.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone (CID 68849603) is 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone is O=C(C1C=CN1)N1CCCC1.
What is the InChIKey of 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone?
The InChIKey is NEWWNRLIGGZKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8(7-3-4-9-7)10-5-1-2-6-10/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone?
1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone has a molecular weight of 152.20 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroazet-2-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 68849603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).