2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole

C10H13N — CID 144990190

IUPAC2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole
SMILESC=C(/C=C\C)C1(C)C=CC=N1
InChIInChI=1S/C10H13N/c1-4-6-9(2)10(3)7-5-8-11-10/h4-8H,2H2,1,3H3/b6-4-
InChIKeyVJVDLNQNENSSRY-XQRVVYSFSA-N
MW147.22 g/mol
LogP2.52
Rot. Bonds2

About 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole

2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole (PubChem CID 144990190) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole.

Molecular Properties

Compound Name2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole
PubChem CID144990190
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole
SMILESC=C(/C=C\C)C1(C)C=CC=N1
InChIInChI=1S/C10H13N/c1-4-6-9(2)10(3)7-5-8-11-10/h4-8H,2H2,1,3H3/b6-4-
InChIKeyVJVDLNQNENSSRY-XQRVVYSFSA-N
XLogP2.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole?
The IUPAC name of 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole (CID 144990190) is 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole.
What is the SMILES notation for 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole?
The canonical SMILES for 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole is C=C(/C=C\C)C1(C)C=CC=N1.
What is the InChIKey of 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole?
The InChIKey is VJVDLNQNENSSRY-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H13N/c1-4-6-9(2)10(3)7-5-8-11-10/h4-8H,2H2,1,3H3/b6-4-.
What are the key properties of 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole?
2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole has a molecular weight of 147.22 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3Z)-penta-1,3-dien-2-yl]pyrrole is sourced from PubChem (CID 144990190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).