(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

C15H15N3O — CID 145180865

IUPAC(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCOC1=CC(c2ccc[nH]2)=N/C1=C\c1ccc(C)[nH]1
InChIInChI=1S/C15H15N3O/c1-10-5-6-11(17-10)8-14-15(19-2)9-13(18-14)12-4-3-7-16-12/h3-9,16-17H,1-2H3/b14-8-
InChIKeyNNQYGASVDDKKDU-ZSOIEALJSA-N
MW253.31 g/mol
LogP3.03
Rot. Bonds3

About (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 145180865) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID145180865
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCOC1=CC(c2ccc[nH]2)=N/C1=C\c1ccc(C)[nH]1
InChIInChI=1S/C15H15N3O/c1-10-5-6-11(17-10)8-14-15(19-2)9-13(18-14)12-4-3-7-16-12/h3-9,16-17H,1-2H3/b14-8-
InChIKeyNNQYGASVDDKKDU-ZSOIEALJSA-N
XLogP3.03
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-2-[(5-dodecyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135802867
(2E)-3-methoxy-2-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135762094
2-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-1,3-dimethylindole
CID 136655899
ethyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 135540842
2-[(5-hexyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136504340
(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 135544020
(2Z)-2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 135704039
2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136834293
zinc bis(3-methoxy-2-[(5-methyl-4-pentylpyrrol-1-id-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole)
CID 135471925
2,2-dimethylpropyl 2-[5-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]acetate
CID 172680384
(2S)-2-ethyl-13-[[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
CID 169423615
(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180859

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (CID 145180865) is (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is COC1=CC(c2ccc[nH]2)=N/C1=C\c1ccc(C)[nH]1.
What is the InChIKey of (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is NNQYGASVDDKKDU-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-5-6-11(17-10)8-14-15(19-2)9-13(18-14)12-4-3-7-16-12/h3-9,16-17H,1-2H3/b14-8-.
What are the key properties of (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
(2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 253.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methoxy-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 145180865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).