3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane

C14H23N — CID 156888166

IUPAC3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane
SMILESC/C=C\c1c(/C=C\CC)ccn1C.CC
InChIInChI=1S/C12H17N.C2H6/c1-4-6-8-11-9-10-13(3)12(11)7-5-2;1-2/h5-10H,4H2,1-3H3;1-2H3/b7-5-,8-6-;
InChIKeyQKBZVPIVSGVDPV-OVDGFJEXSA-N
MW205.34 g/mol
LogP4.51
Rot. Bonds3

About 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane

3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane (PubChem CID 156888166) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane
PubChem CID156888166
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane
SMILESC/C=C\c1c(/C=C\CC)ccn1C.CC
InChIInChI=1S/C12H17N.C2H6/c1-4-6-8-11-9-10-13(3)12(11)7-5-2;1-2/h5-10H,4H2,1-3H3;1-2H3/b7-5-,8-6-;
InChIKeyQKBZVPIVSGVDPV-OVDGFJEXSA-N
XLogP4.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane?
The IUPAC name of 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane (CID 156888166) is 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane?
The canonical SMILES for 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane is C/C=C\c1c(/C=C\CC)ccn1C.CC.
What is the InChIKey of 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane?
The InChIKey is QKBZVPIVSGVDPV-OVDGFJEXSA-N. The full InChI is InChI=1S/C12H17N.C2H6/c1-4-6-8-11-9-10-13(3)12(11)7-5-2;1-2/h5-10H,4H2,1-3H3;1-2H3/b7-5-,8-6-;.
What are the key properties of 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane?
3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane has a molecular weight of 205.34 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-1-methyl-2-[(Z)-prop-1-enyl]pyrrole;ethane is sourced from PubChem (CID 156888166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).