5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole

C8H13N — CID 13017224

IUPAC5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole
SMILESCC1=NCC(=C(C)C)C1
InChIInChI=1S/C8H13N/c1-6(2)8-4-7(3)9-5-8/h4-5H2,1-3H3
InChIKeyAUQBQSAZMJQHEJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds

About 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole

5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole (PubChem CID 13017224) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole
PubChem CID13017224
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole
SMILESCC1=NCC(=C(C)C)C1
InChIInChI=1S/C8H13N/c1-6(2)8-4-7(3)9-5-8/h4-5H2,1-3H3
InChIKeyAUQBQSAZMJQHEJ-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole?
The IUPAC name of 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole (CID 13017224) is 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole.
What is the SMILES notation for 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole?
The canonical SMILES for 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole is CC1=NCC(=C(C)C)C1.
What is the InChIKey of 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole?
The InChIKey is AUQBQSAZMJQHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-6(2)8-4-7(3)9-5-8/h4-5H2,1-3H3.
What are the key properties of 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole?
5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-ylidene-2,4-dihydropyrrole is sourced from PubChem (CID 13017224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).