2-methylidene-3,3-dipropylpyrrolidine

C11H21N — CID 126661388

IUPAC2-methylidene-3,3-dipropylpyrrolidine
SMILESC=C1NCCC1(CCC)CCC
InChIInChI=1S/C11H21N/c1-4-6-11(7-5-2)8-9-12-10(11)3/h12H,3-9H2,1-2H3
InChIKeyJSNAVCWPVXTWAE-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.08
Rot. Bonds4

About 2-methylidene-3,3-dipropylpyrrolidine

2-methylidene-3,3-dipropylpyrrolidine (PubChem CID 126661388) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-methylidene-3,3-dipropylpyrrolidine.

Molecular Properties

Compound Name2-methylidene-3,3-dipropylpyrrolidine
PubChem CID126661388
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-methylidene-3,3-dipropylpyrrolidine
SMILESC=C1NCCC1(CCC)CCC
InChIInChI=1S/C11H21N/c1-4-6-11(7-5-2)8-9-12-10(11)3/h12H,3-9H2,1-2H3
InChIKeyJSNAVCWPVXTWAE-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,3-dipropylpyrrolidine?
The IUPAC name of 2-methylidene-3,3-dipropylpyrrolidine (CID 126661388) is 2-methylidene-3,3-dipropylpyrrolidine.
What is the SMILES notation for 2-methylidene-3,3-dipropylpyrrolidine?
The canonical SMILES for 2-methylidene-3,3-dipropylpyrrolidine is C=C1NCCC1(CCC)CCC.
What is the InChIKey of 2-methylidene-3,3-dipropylpyrrolidine?
The InChIKey is JSNAVCWPVXTWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-11(7-5-2)8-9-12-10(11)3/h12H,3-9H2,1-2H3.
What are the key properties of 2-methylidene-3,3-dipropylpyrrolidine?
2-methylidene-3,3-dipropylpyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,3-dipropylpyrrolidine is sourced from PubChem (CID 126661388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).