(2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine

C22H36N2 — CID 19578940

IUPAC(2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine
SMILESC=CC[C@@H]1CC[C@H](CC=C)N1CCN1[C@@H](CC=C)CC[C@@H]1CC=C
InChIInChI=1S/C22H36N2/c1-5-9-19-13-14-20(10-6-2)23(19)17-18-24-21(11-7-3)15-16-22(24)12-8-4/h5-8,19-22H,1-4,9-18H2/t19-,20-,21-,22+/m0/s1
InChIKeyYACONMHDXMIHKP-MYGLTJDJSA-N
MW328.54 g/mol
LogP4.96
Rot. Bonds11

About (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine

(2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine (PubChem CID 19578940) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine
PubChem CID19578940
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name(2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine
SMILESC=CC[C@@H]1CC[C@H](CC=C)N1CCN1[C@@H](CC=C)CC[C@@H]1CC=C
InChIInChI=1S/C22H36N2/c1-5-9-19-13-14-20(10-6-2)23(19)17-18-24-21(11-7-3)15-16-22(24)12-8-4/h5-8,19-22H,1-4,9-18H2/t19-,20-,21-,22+/m0/s1
InChIKeyYACONMHDXMIHKP-MYGLTJDJSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine?
The IUPAC name of (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine (CID 19578940) is (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine.
What is the SMILES notation for (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine?
The canonical SMILES for (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine is C=CC[C@@H]1CC[C@H](CC=C)N1CCN1[C@@H](CC=C)CC[C@@H]1CC=C.
What is the InChIKey of (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine?
The InChIKey is YACONMHDXMIHKP-MYGLTJDJSA-N. The full InChI is InChI=1S/C22H36N2/c1-5-9-19-13-14-20(10-6-2)23(19)17-18-24-21(11-7-3)15-16-22(24)12-8-4/h5-8,19-22H,1-4,9-18H2/t19-,20-,21-,22+/m0/s1.
What are the key properties of (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine?
(2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine has a molecular weight of 328.54 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2S,5R)-2,5-bis(prop-2-enyl)pyrrolidin-1-yl]ethyl]-2,5-bis(prop-2-enyl)pyrrolidine is sourced from PubChem (CID 19578940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).