1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine

C12H23N — CID 134894619

IUPAC1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine
SMILESCC(C)/C=C(\C(C)C)N1CCCC1
InChIInChI=1S/C12H23N/c1-10(2)9-12(11(3)4)13-7-5-6-8-13/h9-11H,5-8H2,1-4H3/b12-9+
InChIKeyMVEDHLVCHRBDJE-FMIVXFBMSA-N
MW181.32 g/mol
LogP3.28
Rot. Bonds3

About 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine

1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine (PubChem CID 134894619) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine
PubChem CID134894619
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine
SMILESCC(C)/C=C(\C(C)C)N1CCCC1
InChIInChI=1S/C12H23N/c1-10(2)9-12(11(3)4)13-7-5-6-8-13/h9-11H,5-8H2,1-4H3/b12-9+
InChIKeyMVEDHLVCHRBDJE-FMIVXFBMSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine?
The IUPAC name of 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine (CID 134894619) is 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine?
The canonical SMILES for 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine is CC(C)/C=C(\C(C)C)N1CCCC1.
What is the InChIKey of 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine?
The InChIKey is MVEDHLVCHRBDJE-FMIVXFBMSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)9-12(11(3)4)13-7-5-6-8-13/h9-11H,5-8H2,1-4H3/b12-9+.
What are the key properties of 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine?
1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,5-dimethylhex-3-en-3-yl]pyrrolidine is sourced from PubChem (CID 134894619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).