1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine

C13H25N — CID 102117400

IUPAC1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine
SMILESCC(C)/C=C(/CC(C)C)N1CCCC1
InChIInChI=1S/C13H25N/c1-11(2)9-13(10-12(3)4)14-7-5-6-8-14/h9,11-12H,5-8,10H2,1-4H3/b13-9-
InChIKeySZEDKGMXQOPUEU-LCYFTJDESA-N
MW195.35 g/mol
LogP3.67
Rot. Bonds4

About 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine

1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine (PubChem CID 102117400) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine
PubChem CID102117400
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine
SMILESCC(C)/C=C(/CC(C)C)N1CCCC1
InChIInChI=1S/C13H25N/c1-11(2)9-13(10-12(3)4)14-7-5-6-8-14/h9,11-12H,5-8,10H2,1-4H3/b13-9-
InChIKeySZEDKGMXQOPUEU-LCYFTJDESA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine?
The IUPAC name of 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine (CID 102117400) is 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine?
The canonical SMILES for 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine is CC(C)/C=C(/CC(C)C)N1CCCC1.
What is the InChIKey of 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine?
The InChIKey is SZEDKGMXQOPUEU-LCYFTJDESA-N. The full InChI is InChI=1S/C13H25N/c1-11(2)9-13(10-12(3)4)14-7-5-6-8-14/h9,11-12H,5-8,10H2,1-4H3/b13-9-.
What are the key properties of 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine?
1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine has a molecular weight of 195.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,6-dimethylhept-3-en-4-yl]pyrrolidine is sourced from PubChem (CID 102117400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).