2-ethylidene-1-methylpyrrolidine

C7H13N — CID 56995163

IUPAC2-ethylidene-1-methylpyrrolidine
SMILESCC=C1CCCN1C
InChIInChI=1S/C7H13N/c1-3-7-5-4-6-8(7)2/h3H,4-6H2,1-2H3
InChIKeyACKFKPUZQRMFBP-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.62
Rot. Bonds

About 2-ethylidene-1-methylpyrrolidine

2-ethylidene-1-methylpyrrolidine (PubChem CID 56995163) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 2-ethylidene-1-methylpyrrolidine.

Molecular Properties

Compound Name2-ethylidene-1-methylpyrrolidine
PubChem CID56995163
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name2-ethylidene-1-methylpyrrolidine
SMILESCC=C1CCCN1C
InChIInChI=1S/C7H13N/c1-3-7-5-4-6-8(7)2/h3H,4-6H2,1-2H3
InChIKeyACKFKPUZQRMFBP-UHFFFAOYSA-N
XLogP1.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-1-methylpyrrolidine?
The IUPAC name of 2-ethylidene-1-methylpyrrolidine (CID 56995163) is 2-ethylidene-1-methylpyrrolidine.
What is the SMILES notation for 2-ethylidene-1-methylpyrrolidine?
The canonical SMILES for 2-ethylidene-1-methylpyrrolidine is CC=C1CCCN1C.
What is the InChIKey of 2-ethylidene-1-methylpyrrolidine?
The InChIKey is ACKFKPUZQRMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-5-4-6-8(7)2/h3H,4-6H2,1-2H3.
What are the key properties of 2-ethylidene-1-methylpyrrolidine?
2-ethylidene-1-methylpyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-1-methylpyrrolidine is sourced from PubChem (CID 56995163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).