(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine

C11H21N — CID 134850848

IUPAC(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/N1[C@H](C)CC[C@H]1C
InChIInChI=1S/C11H21N/c1-9(2)7-8-12-10(3)5-6-11(12)4/h7-11H,5-6H2,1-4H3/b8-7+/t10-,11-/m1/s1
InChIKeyLPOLXKUZHBUGQG-QSNNZYTBSA-N
MW167.30 g/mol
LogP3.03
Rot. Bonds2

About (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine

(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 134850848) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID134850848
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/N1[C@H](C)CC[C@H]1C
InChIInChI=1S/C11H21N/c1-9(2)7-8-12-10(3)5-6-11(12)4/h7-11H,5-6H2,1-4H3/b8-7+/t10-,11-/m1/s1
InChIKeyLPOLXKUZHBUGQG-QSNNZYTBSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 134850848) is (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine is CC(C)/C=C/N1[C@H](C)CC[C@H]1C.
What is the InChIKey of (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is LPOLXKUZHBUGQG-QSNNZYTBSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)7-8-12-10(3)5-6-11(12)4/h7-11H,5-6H2,1-4H3/b8-7+/t10-,11-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 134850848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).