5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one

C15H17N3O — CID 177357042

IUPAC5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one
SMILESCC(C)Nc1ccc(N2C(=O)C=CC2=C2CC2)cn1
InChIInChI=1S/C15H17N3O/c1-10(2)17-14-7-5-12(9-16-14)18-13(11-3-4-11)6-8-15(18)19/h5-10H,3-4H2,1-2H3,(H,16,17)
InChIKeyRMZAXOQGAKTWEA-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.85
Rot. Bonds3

About 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one

5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one (PubChem CID 177357042) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one.

Molecular Properties

Compound Name5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one
PubChem CID177357042
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one
SMILESCC(C)Nc1ccc(N2C(=O)C=CC2=C2CC2)cn1
InChIInChI=1S/C15H17N3O/c1-10(2)17-14-7-5-12(9-16-14)18-13(11-3-4-11)6-8-15(18)19/h5-10H,3-4H2,1-2H3,(H,16,17)
InChIKeyRMZAXOQGAKTWEA-UHFFFAOYSA-N
XLogP2.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one?
The IUPAC name of 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one (CID 177357042) is 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one.
What is the SMILES notation for 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one?
The canonical SMILES for 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one is CC(C)Nc1ccc(N2C(=O)C=CC2=C2CC2)cn1.
What is the InChIKey of 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one?
The InChIKey is RMZAXOQGAKTWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)17-14-7-5-12(9-16-14)18-13(11-3-4-11)6-8-15(18)19/h5-10H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one?
5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropylidene-1-[6-(propan-2-ylamino)-3-pyridinyl]pyrrol-2-one is sourced from PubChem (CID 177357042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).