1,3-dihydropyrrol-2-one;pyrrolidin-2-one

C8H12N2O2 — CID 172734146

IUPAC1,3-dihydropyrrol-2-one;pyrrolidin-2-one
SMILESO=C1CC=CN1.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H5NO/c2*6-4-2-1-3-5-4/h1-3H2,(H,5,6);1,3H,2H2,(H,5,6)
InChIKeyIEVICOJYDNJJFP-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.08
Rot. Bonds

About 1,3-dihydropyrrol-2-one;pyrrolidin-2-one

1,3-dihydropyrrol-2-one;pyrrolidin-2-one (PubChem CID 172734146) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1,3-dihydropyrrol-2-one;pyrrolidin-2-one.

Molecular Properties

Compound Name1,3-dihydropyrrol-2-one;pyrrolidin-2-one
PubChem CID172734146
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1,3-dihydropyrrol-2-one;pyrrolidin-2-one
SMILESO=C1CC=CN1.O=C1CCCN1
InChIInChI=1S/C4H7NO.C4H5NO/c2*6-4-2-1-3-5-4/h1-3H2,(H,5,6);1,3H,2H2,(H,5,6)
InChIKeyIEVICOJYDNJJFP-UHFFFAOYSA-N
XLogP-0.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dihydropyrrol-2-one;molecular hydrogen
CID 143760085
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CID 174413202
pyrrolidin-2-one;hydrate
CID 19382566
ethene;pyrrolidin-2-one
CID 18949514
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CID 67853208
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CID 67822125
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CID 54451151
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CID 87774451
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CID 22023756
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydropyrrol-2-one;pyrrolidin-2-one?
The IUPAC name of 1,3-dihydropyrrol-2-one;pyrrolidin-2-one (CID 172734146) is 1,3-dihydropyrrol-2-one;pyrrolidin-2-one.
What is the SMILES notation for 1,3-dihydropyrrol-2-one;pyrrolidin-2-one?
The canonical SMILES for 1,3-dihydropyrrol-2-one;pyrrolidin-2-one is O=C1CC=CN1.O=C1CCCN1.
What is the InChIKey of 1,3-dihydropyrrol-2-one;pyrrolidin-2-one?
The InChIKey is IEVICOJYDNJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H5NO/c2*6-4-2-1-3-5-4/h1-3H2,(H,5,6);1,3H,2H2,(H,5,6).
What are the key properties of 1,3-dihydropyrrol-2-one;pyrrolidin-2-one?
1,3-dihydropyrrol-2-one;pyrrolidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydropyrrol-2-one;pyrrolidin-2-one is sourced from PubChem (CID 172734146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).