(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole

C23H23N3O — CID 135544020

IUPAC(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCC(C)c1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OCc2ccccc2)[nH]1
InChIInChI=1S/C23H23N3O/c1-16(2)19-11-10-18(25-19)13-22-23(27-15-17-7-4-3-5-8-17)14-21(26-22)20-9-6-12-24-20/h3-14,16,24-25H,15H2,1-2H3/b22-13-
InChIKeyDXFSKPRMZDYOBG-XKZIYDEJSA-N
MW357.46 g/mol
LogP5.41
Rot. Bonds6

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

(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (PubChem CID 135544020) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.

Molecular Properties

Compound Name(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
PubChem CID135544020
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
SMILESCC(C)c1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OCc2ccccc2)[nH]1
InChIInChI=1S/C23H23N3O/c1-16(2)19-11-10-18(25-19)13-22-23(27-15-17-7-4-3-5-8-17)14-21(26-22)20-9-6-12-24-20/h3-14,16,24-25H,15H2,1-2H3/b22-13-
InChIKeyDXFSKPRMZDYOBG-XKZIYDEJSA-N
XLogP5.41
TPSA53.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-benzyl-1H-pyrrol-2-yl)methylidene]-3-phenylmethoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136834293
tert-butyl 2-[(5E)-5-[(5-methyl-1H-pyrrol-2-yl)methylidene]-4-phenylmethoxypyrrol-2-yl]pyrrole-1-carboxylate
CID 10950036
2-[(5-hexyl-3-methyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-5-(1H-pyrrol-2-yl)pyrrole
CID 136504340
(2Z)-4-ethyl-3-methyl-2-[(5-methyl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole
CID 145180859
2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole
CID 69234640
2-[(5-decyl-1H-pyrrol-2-yl)methylidene]-3-ethoxy-5-(5-methyl-1H-pyrrol-2-yl)pyrrole;hydrochloride
CID 70136775
N-phenylmethoxy-1-(1H-pyrrol-2-yl)methanamine
CID 82710009
1,3-dimethyl-2-phenylmethoxy-5-propan-2-ylbenzene
CID 59709239
1-[(1Z)-1-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]ethyl]-3-methyl-4,5,6,7-tetrahydro-2H-isoindole
CID 135484428
N-(2-phenylmethoxyphenoxy)propan-1-imine
CID 118526745
benzyl 2-(1H-pyrrol-2-yl)acetate
CID 175566769
(2S)-2-methyl-5-phenylmethoxypentanal
CID 11218003

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The IUPAC name of (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole (CID 135544020) is (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole.
What is the SMILES notation for (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The canonical SMILES for (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is CC(C)c1ccc(/C=C2\N=C(c3ccc[nH]3)C=C2OCc2ccccc2)[nH]1.
What is the InChIKey of (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
The InChIKey is DXFSKPRMZDYOBG-XKZIYDEJSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16(2)19-11-10-18(25-19)13-22-23(27-15-17-7-4-3-5-8-17)14-21(26-22)20-9-6-12-24-20/h3-14,16,24-25H,15H2,1-2H3/b22-13-.
What are the key properties of (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole?
(2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole has a molecular weight of 357.46 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-phenylmethoxy-2-[(5-propan-2-yl-1H-pyrrol-2-yl)methylidene]-5-(1H-pyrrol-2-yl)pyrrole is sourced from PubChem (CID 135544020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).