(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole

C10H11NO — CID 91748330

IUPAC(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole
SMILESCc1ccc(/C=C2\C=NCC2)o1
InChIInChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6-
InChIKeyBCWSVRKZMCXABS-TWGQIWQCSA-N
MW161.20 g/mol
LogP2.45
Rot. Bonds1

About (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole

(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole (PubChem CID 91748330) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole.

Molecular Properties

Compound Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole
PubChem CID91748330
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole
SMILESCc1ccc(/C=C2\C=NCC2)o1
InChIInChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6-
InChIKeyBCWSVRKZMCXABS-TWGQIWQCSA-N
XLogP2.45
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole?
The IUPAC name of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole (CID 91748330) is (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole.
What is the SMILES notation for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole?
The canonical SMILES for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole is Cc1ccc(/C=C2\C=NCC2)o1.
What is the InChIKey of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole?
The InChIKey is BCWSVRKZMCXABS-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H11NO/c1-8-2-3-10(12-8)6-9-4-5-11-7-9/h2-3,6-7H,4-5H2,1H3/b9-6-.
What are the key properties of (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole?
(4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole has a molecular weight of 161.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(5-methylfuran-2-yl)methylidene]-2,3-dihydropyrrole is sourced from PubChem (CID 91748330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).