ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole

C14H27N — CID 143141932

IUPACethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
SMILESC=CC1=C(/C=C\C)CN(C)C1.CC.CC
InChIInChI=1S/C10H15N.2C2H6/c1-4-6-10-8-11(3)7-9(10)5-2;2*1-2/h4-6H,2,7-8H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyGURHWUPLMIMCBO-XFUGJFOESA-N
MW209.38 g/mol
LogP4.04
Rot. Bonds2

About ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole

ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole (PubChem CID 143141932) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole.

Molecular Properties

Compound Nameethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
PubChem CID143141932
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Nameethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
SMILESC=CC1=C(/C=C\C)CN(C)C1.CC.CC
InChIInChI=1S/C10H15N.2C2H6/c1-4-6-10-8-11(3)7-9(10)5-2;2*1-2/h4-6H,2,7-8H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyGURHWUPLMIMCBO-XFUGJFOESA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
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;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole?
The IUPAC name of ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole (CID 143141932) is ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole.
What is the SMILES notation for ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole?
The canonical SMILES for ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole is C=CC1=C(/C=C\C)CN(C)C1.CC.CC.
What is the InChIKey of ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole?
The InChIKey is GURHWUPLMIMCBO-XFUGJFOESA-N. The full InChI is InChI=1S/C10H15N.2C2H6/c1-4-6-10-8-11(3)7-9(10)5-2;2*1-2/h4-6H,2,7-8H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole?
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole has a molecular weight of 209.38 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;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole is sourced from PubChem (CID 143141932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).