ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole

C13H21N — CID 178086762

IUPACethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(/C=C\C)c(C)cn1C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-7-10-9(3)8-12(4)11(10)6-2;1-2/h5-8H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyYMPLYMXOTFFLAZ-YJOCEBFMSA-N
MW191.32 g/mol
LogP4.04
Rot. Bonds2

About ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole

ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole (PubChem CID 178086762) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole.

Molecular Properties

Compound Nameethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole
PubChem CID178086762
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole
SMILESC=Cc1c(/C=C\C)c(C)cn1C.CC
InChIInChI=1S/C11H15N.C2H6/c1-5-7-10-9(3)8-12(4)11(10)6-2;1-2/h5-8H,2H2,1,3-4H3;1-2H3/b7-5-;
InChIKeyYMPLYMXOTFFLAZ-YJOCEBFMSA-N
XLogP4.04
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole?
The IUPAC name of ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole (CID 178086762) is ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole.
What is the SMILES notation for ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole?
The canonical SMILES for ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole is C=Cc1c(/C=C\C)c(C)cn1C.CC.
What is the InChIKey of ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole?
The InChIKey is YMPLYMXOTFFLAZ-YJOCEBFMSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-5-7-10-9(3)8-12(4)11(10)6-2;1-2/h5-8H,2H2,1,3-4H3;1-2H3/b7-5-;.
What are the key properties of ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole?
ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole has a molecular weight of 191.32 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-1,4-dimethyl-3-[(Z)-prop-1-enyl]pyrrole is sourced from PubChem (CID 178086762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).