(2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine

C9H16N2 — CID 177448551

IUPAC(2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine
SMILESC(=C1\CCCN1)\C1CCCN1
InChIInChI=1S/C9H16N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h7-8,10-11H,1-6H2/b9-7+
InChIKeySMPCGQJJEJKWCE-VQHVLOKHSA-N
MW152.24 g/mol
LogP1.01
Rot. Bonds1

About (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine

(2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine (PubChem CID 177448551) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine.

Molecular Properties

Compound Name(2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine
PubChem CID177448551
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine
SMILESC(=C1\CCCN1)\C1CCCN1
InChIInChI=1S/C9H16N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h7-8,10-11H,1-6H2/b9-7+
InChIKeySMPCGQJJEJKWCE-VQHVLOKHSA-N
XLogP1.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine?
The IUPAC name of (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine (CID 177448551) is (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine.
What is the SMILES notation for (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine?
The canonical SMILES for (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine is C(=C1\CCCN1)\C1CCCN1.
What is the InChIKey of (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine?
The InChIKey is SMPCGQJJEJKWCE-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-8(10-5-1)7-9-4-2-6-11-9/h7-8,10-11H,1-6H2/b9-7+.
What are the key properties of (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine?
(2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine has a molecular weight of 152.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(pyrrolidin-2-ylmethylidene)pyrrolidine is sourced from PubChem (CID 177448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).