1-ethyl-2-propan-2-ylidenepyrrolidine

C9H17N — CID 89213988

IUPAC1-ethyl-2-propan-2-ylidenepyrrolidine
SMILESCCN1CCCC1=C(C)C
InChIInChI=1S/C9H17N/c1-4-10-7-5-6-9(10)8(2)3/h4-7H2,1-3H3
InChIKeyXRUXEJXNOBIDJJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.40
Rot. Bonds1

About 1-ethyl-2-propan-2-ylidenepyrrolidine

1-ethyl-2-propan-2-ylidenepyrrolidine (PubChem CID 89213988) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylidenepyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylidenepyrrolidine
PubChem CID89213988
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-ethyl-2-propan-2-ylidenepyrrolidine
SMILESCCN1CCCC1=C(C)C
InChIInChI=1S/C9H17N/c1-4-10-7-5-6-9(10)8(2)3/h4-7H2,1-3H3
InChIKeyXRUXEJXNOBIDJJ-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylidenepyrrolidine?
The IUPAC name of 1-ethyl-2-propan-2-ylidenepyrrolidine (CID 89213988) is 1-ethyl-2-propan-2-ylidenepyrrolidine.
What is the SMILES notation for 1-ethyl-2-propan-2-ylidenepyrrolidine?
The canonical SMILES for 1-ethyl-2-propan-2-ylidenepyrrolidine is CCN1CCCC1=C(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylidenepyrrolidine?
The InChIKey is XRUXEJXNOBIDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-10-7-5-6-9(10)8(2)3/h4-7H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylidenepyrrolidine?
1-ethyl-2-propan-2-ylidenepyrrolidine has a molecular weight of 139.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylidenepyrrolidine is sourced from PubChem (CID 89213988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).