(2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine

C14H25N — CID 11127485

IUPAC(2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine
SMILESC=CC(C)(C)[C@H]1CC[C@H](C(C)(C)C=C)N1
InChIInChI=1S/C14H25N/c1-7-13(3,4)11-9-10-12(15-11)14(5,6)8-2/h7-8,11-12,15H,1-2,9-10H2,3-6H3/t11-,12-/m1/s1
InChIKeyOGJLFFXTDJQJAP-VXGBXAGGSA-N
MW207.36 g/mol
LogP3.53
Rot. Bonds4

About (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine

(2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine (PubChem CID 11127485) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine
PubChem CID11127485
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine
SMILESC=CC(C)(C)[C@H]1CC[C@H](C(C)(C)C=C)N1
InChIInChI=1S/C14H25N/c1-7-13(3,4)11-9-10-12(15-11)14(5,6)8-2/h7-8,11-12,15H,1-2,9-10H2,3-6H3/t11-,12-/m1/s1
InChIKeyOGJLFFXTDJQJAP-VXGBXAGGSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine?
The IUPAC name of (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine (CID 11127485) is (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine.
What is the SMILES notation for (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine?
The canonical SMILES for (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine is C=CC(C)(C)[C@H]1CC[C@H](C(C)(C)C=C)N1.
What is the InChIKey of (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine?
The InChIKey is OGJLFFXTDJQJAP-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H25N/c1-7-13(3,4)11-9-10-12(15-11)14(5,6)8-2/h7-8,11-12,15H,1-2,9-10H2,3-6H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine?
(2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(2-methylbut-3-en-2-yl)pyrrolidine is sourced from PubChem (CID 11127485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).