1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine

C11H17N — CID 5373885

IUPAC1-[(Z)-cyclohex-3-en-1-ylidenemethyl]pyrrolidine
SMILESC1CCN(C1)/C=C\2/CCC=CC2
InChIInChI=1S/C11H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,10H,3-9H2/b11-10+
InChIKeyKIEOJVRTCDEYFN-ZHACJKMWSA-N
MW163.26 g/mol
LogP2.30
Rot. Bonds1

About 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine

1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine (PubChem CID 5373885) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-[(Z)-cyclohex-3-en-1-ylidenemethyl]pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine
PubChem CID5373885
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name1-[(Z)-cyclohex-3-en-1-ylidenemethyl]pyrrolidine
SMILESC1CCN(C1)/C=C\2/CCC=CC2
InChIInChI=1S/C11H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,10H,3-9H2/b11-10+
InChIKeyKIEOJVRTCDEYFN-ZHACJKMWSA-N
XLogP2.30
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity197

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(Cyclohexen-1-yl)ethyl]pyrrolidine
CID 10944743
1-(Cyclohexylidenemethyl)pyrrolidine
CID 12290234
1-(Cyclohexen-1-ylmethyl)pyrrolidine
CID 12917203
1-[(1E)-3,7-dimethylocta-1,6-dienyl]pyrrolidine
CID 137309182
1-(2,6-Dimethylhepta-1,5-dien-1-yl)pyrrolidine
CID 165368264
1-[(E)-cyclohex-3-en-1-ylidenemethyl]pyrrolidine
CID 12290235
1-[(E)-2-(cyclohexen-1-yl)ethenyl]pyrrolidine
CID 23239568
Pyrrolidine, 1-(3-cyclohexen-1-ylidenemethyl)-
CID 596041
1-[(Z)-cyclohex-3-en-1-ylidenemethyl]piperidine
CID 20487850
N-(cyclohex-3-en-1-ylidenemethyl)-N-prop-2-enylprop-2-en-1-amine
CID 53684093
1-(Cyclohex-3-en-1-ylidenemethyl)piperidine
CID 53865130
1-(Cyclohex-3-en-1-ylidenemethyl)azepane
CID 54123373

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine?
The IUPAC name of 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine (CID 5373885) is 1-[(Z)-cyclohex-3-en-1-ylidenemethyl]pyrrolidine.
What is the SMILES notation for 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine?
The canonical SMILES for 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine is C1CCN(C1)/C=C\2/CCC=CC2.
What is the InChIKey of 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine?
The InChIKey is KIEOJVRTCDEYFN-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H17N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,10H,3-9H2/b11-10+.
What are the key properties of 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine?
1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-Cyclohexen-1-ylidenemethyl]pyrrolidine is sourced from PubChem (CID 5373885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).