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

C9H15N — CID 13272518

IUPAC5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole
SMILESCCC1=NCCC1=C(C)C
InChIInChI=1S/C9H15N/c1-4-9-8(7(2)3)5-6-10-9/h4-6H2,1-3H3
InChIKeyJPTDZSFKKJBEPL-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.58
Rot. Bonds1

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

5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole (PubChem CID 13272518) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole
PubChem CID13272518
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole
SMILESCCC1=NCCC1=C(C)C
InChIInChI=1S/C9H15N/c1-4-9-8(7(2)3)5-6-10-9/h4-6H2,1-3H3
InChIKeyJPTDZSFKKJBEPL-UHFFFAOYSA-N
XLogP2.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole?
The IUPAC name of 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole (CID 13272518) is 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole.
What is the SMILES notation for 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole?
The canonical SMILES for 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole is CCC1=NCCC1=C(C)C.
What is the InChIKey of 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole?
The InChIKey is JPTDZSFKKJBEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-9-8(7(2)3)5-6-10-9/h4-6H2,1-3H3.
What are the key properties of 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole?
5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propan-2-ylidene-2,3-dihydropyrrole is sourced from PubChem (CID 13272518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).