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

C15H27N — CID 178090956

IUPACethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC=Cc1[nH]cc(CC)c1/C=C\C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-4-7-10-9(5-2)8-12-11(10)6-3;2*1-2/h4,6-8,12H,3,5H2,1-2H3;2*1-2H3/b7-4-;;
InChIKeyVNYZTNCEMVFNLF-XIFWRFGDSA-N
MW221.39 g/mol
LogP5.31
Rot. Bonds3

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

ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole (PubChem CID 178090956) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole.

Molecular Properties

Compound Nameethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
PubChem CID178090956
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC=Cc1[nH]cc(CC)c1/C=C\C.CC.CC
InChIInChI=1S/C11H15N.2C2H6/c1-4-7-10-9(5-2)8-12-11(10)6-3;2*1-2/h4,6-8,12H,3,5H2,1-2H3;2*1-2H3/b7-4-;;
InChIKeyVNYZTNCEMVFNLF-XIFWRFGDSA-N
XLogP5.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749630
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-2-methyl-2-(methylamino)propan-1-ol
CID 144556832
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
CID 145088276
5-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]pentan-2-one
CID 145421398
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 169200071
N-[2-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 142855861
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole?
The IUPAC name of ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole (CID 178090956) is ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole.
What is the SMILES notation for ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole?
The canonical SMILES for ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole is C=Cc1[nH]cc(CC)c1/C=C\C.CC.CC.
What is the InChIKey of ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole?
The InChIKey is VNYZTNCEMVFNLF-XIFWRFGDSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-4-7-10-9(5-2)8-12-11(10)6-3;2*1-2/h4,6-8,12H,3,5H2,1-2H3;2*1-2H3/b7-4-;;.
What are the key properties of ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole?
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole has a molecular weight of 221.39 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole is sourced from PubChem (CID 178090956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).