(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one

C14H14N2O2 — CID 2512881

IUPAC(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
SMILESCOc1ccc(/C=C2\N=C3CCCN3C2=O)cc1
InChIInChI=1S/C14H14N2O2/c1-18-11-6-4-10(5-7-11)9-12-14(17)16-8-2-3-13(16)15-12/h4-7,9H,2-3,8H2,1H3/b12-9-
InChIKeyAGFPJOAOTBMRDC-XFXZXTDPSA-N
MW242.28 g/mol
LogP2.07
Rot. Bonds2

About (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one

(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one (PubChem CID 2512881) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
PubChem CID2512881
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
SMILESCOc1ccc(/C=C2\N=C3CCCN3C2=O)cc1
InChIInChI=1S/C14H14N2O2/c1-18-11-6-4-10(5-7-11)9-12-14(17)16-8-2-3-13(16)15-12/h4-7,9H,2-3,8H2,1H3/b12-9-
InChIKeyAGFPJOAOTBMRDC-XFXZXTDPSA-N
XLogP2.07
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
The IUPAC name of (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one (CID 2512881) is (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one.
What is the SMILES notation for (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
The canonical SMILES for (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one is COc1ccc(/C=C2\N=C3CCCN3C2=O)cc1.
What is the InChIKey of (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
The InChIKey is AGFPJOAOTBMRDC-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-18-11-6-4-10(5-7-11)9-12-14(17)16-8-2-3-13(16)15-12/h4-7,9H,2-3,8H2,1H3/b12-9-.
What are the key properties of (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one?
(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one has a molecular weight of 242.28 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one is sourced from PubChem (CID 2512881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).