2-ethenyl-3-ethyl-1H-pyrrole

C8H11N — CID 144842515

IUPAC2-ethenyl-3-ethyl-1H-pyrrole
SMILESC=Cc1[nH]ccc1CC
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h4-6,9H,2-3H2,1H3
InChIKeyBZDMNODIWYWKOO-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.22
Rot. Bonds2

About 2-ethenyl-3-ethyl-1H-pyrrole

2-ethenyl-3-ethyl-1H-pyrrole (PubChem CID 144842515) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-ethenyl-3-ethyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethenyl-3-ethyl-1H-pyrrole
PubChem CID144842515
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name2-ethenyl-3-ethyl-1H-pyrrole
SMILESC=Cc1[nH]ccc1CC
InChIInChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h4-6,9H,2-3H2,1H3
InChIKeyBZDMNODIWYWKOO-UHFFFAOYSA-N
XLogP2.22
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
2-ethenyl-3-fluoro-1H-pyrrole
CID 155724901
ethane;2-ethenyl-3,4-diethyl-1H-pyrrole
CID 177324812
2-ethenyl-3-[(3Z)-2-methylhexa-3,5-dien-3-yl]-1H-pyrrole
CID 154929979
ethane;4-ethyl-3-methyl-1H-pyridin-2-one
CID 155712799
3-ethenyl-2-propyl-1H-pyrrole
CID 143902050
3-docosyl-1H-pyrrole-2-carbaldehyde
CID 163030493
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
3-icosyl-1H-pyrrole-2-carbaldehyde
CID 162936507
(2-ethenyl-1H-pyrrol-3-yl)methanimine
CID 142384190
1,2-bis(ethenyl)benzene;1-ethenyl-2-ethylbenzene
CID 18622340
(2-ethyl-1H-pyrrol-3-yl)methanol
CID 174935914

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-ethyl-1H-pyrrole?
The IUPAC name of 2-ethenyl-3-ethyl-1H-pyrrole (CID 144842515) is 2-ethenyl-3-ethyl-1H-pyrrole.
What is the SMILES notation for 2-ethenyl-3-ethyl-1H-pyrrole?
The canonical SMILES for 2-ethenyl-3-ethyl-1H-pyrrole is C=Cc1[nH]ccc1CC.
What is the InChIKey of 2-ethenyl-3-ethyl-1H-pyrrole?
The InChIKey is BZDMNODIWYWKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-3-7-5-6-9-8(7)4-2/h4-6,9H,2-3H2,1H3.
What are the key properties of 2-ethenyl-3-ethyl-1H-pyrrole?
2-ethenyl-3-ethyl-1H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-ethyl-1H-pyrrole is sourced from PubChem (CID 144842515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).