2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane

C11H17N — CID 142006410

IUPAC2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
SMILESC=Cc1[nH]cc(C)c1C=C.CC
InChIInChI=1S/C9H11N.C2H6/c1-4-8-7(3)6-10-9(8)5-2;1-2/h4-6,10H,1-2H2,3H3;1-2H3
InChIKeyVTPIANILEVZHNE-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.64
Rot. Bonds2

About 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane

2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane (PubChem CID 142006410) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
PubChem CID142006410
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
SMILESC=Cc1[nH]cc(C)c1C=C.CC
InChIInChI=1S/C9H11N.C2H6/c1-4-8-7(3)6-10-9(8)5-2;1-2/h4-6,10H,1-2H2,3H3;1-2H3
InChIKeyVTPIANILEVZHNE-UHFFFAOYSA-N
XLogP3.64
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
4-methyl-2,3-bis[(Z)-prop-1-enyl]-1H-pyrrole
CID 89154188
ethane;N-methyl-1-[4-methyl-2-(methylideneamino)-1H-pyrrol-3-yl]methanimine
CID 143572314
4-[4,5-bis(ethenyl)-1H-pyrrol-3-yl]but-1-en-2-amine
CID 144715193
2,3-bis(ethenyl)-5-(hydroxymethyl)-1H-pyridin-4-one
CID 142923204
ethane;[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]methanimine
CID 143341013
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole;ethane;5-propan-2-yl-1H-imidazole
CID 145088276
ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540
4-ethenyl-5-[(Z)-prop-1-enyl]-1H-pyrrole-3-carbaldehyde
CID 169200071

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane?
The IUPAC name of 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane (CID 142006410) is 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane is C=Cc1[nH]cc(C)c1C=C.CC.
What is the InChIKey of 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane?
The InChIKey is VTPIANILEVZHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C2H6/c1-4-8-7(3)6-10-9(8)5-2;1-2/h4-6,10H,1-2H2,3H3;1-2H3.
What are the key properties of 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane?
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane has a molecular weight of 163.26 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane is sourced from PubChem (CID 142006410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).