(2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole

C10H15N — CID 126583319

IUPAC(2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole
SMILESCC/C(C)=C\C=C1/CC=CN1
InChIInChI=1S/C10H15N/c1-3-9(2)6-7-10-5-4-8-11-10/h4,6-8,11H,3,5H2,1-2H3/b9-6-,10-7+
InChIKeyVARXGOMTVSTPFT-PCCLLEMOSA-N
MW149.24 g/mol
LogP2.73
Rot. Bonds2

About (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole

(2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole (PubChem CID 126583319) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole.

Molecular Properties

Compound Name(2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole
PubChem CID126583319
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole
SMILESCC/C(C)=C\C=C1/CC=CN1
InChIInChI=1S/C10H15N/c1-3-9(2)6-7-10-5-4-8-11-10/h4,6-8,11H,3,5H2,1-2H3/b9-6-,10-7+
InChIKeyVARXGOMTVSTPFT-PCCLLEMOSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole?
The IUPAC name of (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole (CID 126583319) is (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole.
What is the SMILES notation for (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole?
The canonical SMILES for (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole is CC/C(C)=C\C=C1/CC=CN1.
What is the InChIKey of (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole?
The InChIKey is VARXGOMTVSTPFT-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H15N/c1-3-9(2)6-7-10-5-4-8-11-10/h4,6-8,11H,3,5H2,1-2H3/b9-6-,10-7+.
What are the key properties of (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole?
(2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-3-methylpent-2-enylidene]-1,3-dihydropyrrole is sourced from PubChem (CID 126583319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).