1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine

C11H21N — CID 12749028

IUPAC1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine
SMILESC/C=C\C(C(C)C)N1CCCC1
InChIInChI=1S/C11H21N/c1-4-7-11(10(2)3)12-8-5-6-9-12/h4,7,10-11H,5-6,8-9H2,1-3H3/b7-4-
InChIKeyQHUMOHFLMYSLJP-DAXSKMNVSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine

1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine (PubChem CID 12749028) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine
PubChem CID12749028
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine
SMILESC/C=C\C(C(C)C)N1CCCC1
InChIInChI=1S/C11H21N/c1-4-7-11(10(2)3)12-8-5-6-9-12/h4,7,10-11H,5-6,8-9H2,1-3H3/b7-4-
InChIKeyQHUMOHFLMYSLJP-DAXSKMNVSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
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 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine?
The IUPAC name of 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine (CID 12749028) is 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine?
The canonical SMILES for 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine is C/C=C\C(C(C)C)N1CCCC1.
What is the InChIKey of 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine?
The InChIKey is QHUMOHFLMYSLJP-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H21N/c1-4-7-11(10(2)3)12-8-5-6-9-12/h4,7,10-11H,5-6,8-9H2,1-3H3/b7-4-.
What are the key properties of 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine?
1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-methylhex-4-en-3-yl]pyrrolidine is sourced from PubChem (CID 12749028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).