1,3-dihydrocyclopenta[b]pyrrol-2-one

C7H5NO — CID 176542171

IUPAC1,3-dihydrocyclopenta[b]pyrrol-2-one
SMILESO=C1CC2=C(C=C=C2)N1
InChIInChI=1S/C7H5NO/c9-7-4-5-2-1-3-6(5)8-7/h2-3H,4H2,(H,8,9)
InChIKeyGAXPVHNTCRPBLG-UHFFFAOYSA-N
MW119.12 g/mol
LogP0.49
Rot. Bonds

About 1,3-dihydrocyclopenta[b]pyrrol-2-one

1,3-dihydrocyclopenta[b]pyrrol-2-one (PubChem CID 176542171) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is 1,3-dihydrocyclopenta[b]pyrrol-2-one.

Molecular Properties

Compound Name1,3-dihydrocyclopenta[b]pyrrol-2-one
PubChem CID176542171
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name1,3-dihydrocyclopenta[b]pyrrol-2-one
SMILESO=C1CC2=C(C=C=C2)N1
InChIInChI=1S/C7H5NO/c9-7-4-5-2-1-3-6(5)8-7/h2-3H,4H2,(H,8,9)
InChIKeyGAXPVHNTCRPBLG-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-amino-3H-pyridine-2,6-dione
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1,3-diazinane-2,4,6-trione;methane
CID 70575233
CID 69134570
CID 69134570
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bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
CID 139202074
1,4-dihydroimidazo[4,5-b]pyridine-5,7-dione;methane;yttrium
CID 160543253
sodium 2-sulfanylidene-1,3-diazinane-4,6-dione
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4H-[1,2,4]triazolo[1,5-a]pyrimidine-5,7-dione
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5-propan-2-yl-3,5a,6,6a-tetrahydro-1H-cyclopropa[e]indol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrocyclopenta[b]pyrrol-2-one?
The IUPAC name of 1,3-dihydrocyclopenta[b]pyrrol-2-one (CID 176542171) is 1,3-dihydrocyclopenta[b]pyrrol-2-one.
What is the SMILES notation for 1,3-dihydrocyclopenta[b]pyrrol-2-one?
The canonical SMILES for 1,3-dihydrocyclopenta[b]pyrrol-2-one is O=C1CC2=C(C=C=C2)N1.
What is the InChIKey of 1,3-dihydrocyclopenta[b]pyrrol-2-one?
The InChIKey is GAXPVHNTCRPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO/c9-7-4-5-2-1-3-6(5)8-7/h2-3H,4H2,(H,8,9).
What are the key properties of 1,3-dihydrocyclopenta[b]pyrrol-2-one?
1,3-dihydrocyclopenta[b]pyrrol-2-one has a molecular weight of 119.12 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydrocyclopenta[b]pyrrol-2-one is sourced from PubChem (CID 176542171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).