4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane

C13H25N — CID 143361158

IUPAC4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane
SMILESC.C=CC1CN(C)C(C)C1(C)/C=C\C
InChIInChI=1S/C12H21N.CH4/c1-6-8-12(4)10(3)13(5)9-11(12)7-2;/h6-8,10-11H,2,9H2,1,3-5H3;1H4/b8-6-;
InChIKeySVMIQPZPDJEGMT-PHZXCRFESA-N
MW195.35 g/mol
LogP3.34
Rot. Bonds2

About 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane

4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane (PubChem CID 143361158) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane.

Molecular Properties

Compound Name4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane
PubChem CID143361158
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane
SMILESC.C=CC1CN(C)C(C)C1(C)/C=C\C
InChIInChI=1S/C12H21N.CH4/c1-6-8-12(4)10(3)13(5)9-11(12)7-2;/h6-8,10-11H,2,9H2,1,3-5H3;1H4/b8-6-;
InChIKeySVMIQPZPDJEGMT-PHZXCRFESA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.34
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 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane?
The IUPAC name of 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane (CID 143361158) is 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane.
What is the SMILES notation for 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane?
The canonical SMILES for 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane is C.C=CC1CN(C)C(C)C1(C)/C=C\C.
What is the InChIKey of 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane?
The InChIKey is SVMIQPZPDJEGMT-PHZXCRFESA-N. The full InChI is InChI=1S/C12H21N.CH4/c1-6-8-12(4)10(3)13(5)9-11(12)7-2;/h6-8,10-11H,2,9H2,1,3-5H3;1H4/b8-6-;.
What are the key properties of 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane?
4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane has a molecular weight of 195.35 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1,2,3-trimethyl-3-[(Z)-prop-1-enyl]pyrrolidine;methane is sourced from PubChem (CID 143361158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).