1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane

C15H27N — CID 143047334

IUPAC1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane
SMILESC=Cc1cc(C)cn1/C=C\CC.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-4-6-7-12-9-10(3)8-11(12)5-2;2*1-2/h5-9H,2,4H2,1,3H3;2*1-2H3/b7-6-;;
InChIKeyBPXACEJPOMTMIX-AQTVDGORSA-N
MW221.39 g/mol
LogP5.37
Rot. Bonds3

About 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane

1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane (PubChem CID 143047334) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane
PubChem CID143047334
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane
SMILESC=Cc1cc(C)cn1/C=C\CC.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-4-6-7-12-9-10(3)8-11(12)5-2;2*1-2/h5-9H,2,4H2,1,3H3;2*1-2H3/b7-6-;;
InChIKeyBPXACEJPOMTMIX-AQTVDGORSA-N
XLogP5.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane?
The IUPAC name of 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane (CID 143047334) is 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane?
The canonical SMILES for 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane is C=Cc1cc(C)cn1/C=C\CC.CC.CC.
What is the InChIKey of 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane?
The InChIKey is BPXACEJPOMTMIX-AQTVDGORSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-4-6-7-12-9-10(3)8-11(12)5-2;2*1-2/h5-9H,2,4H2,1,3H3;2*1-2H3/b7-6-;;.
What are the key properties of 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane?
1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane has a molecular weight of 221.39 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-2-ethenyl-4-methylpyrrole;ethane is sourced from PubChem (CID 143047334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).