1-ethylcyclopenta-1,3-diene;1H-pyrrole

C11H15N — CID 161342493

IUPAC1-ethylcyclopenta-1,3-diene;1H-pyrrole
SMILESCCC1=CC=CC1.c1cc[nH]c1
InChIInChI=1S/C7H10.C4H5N/c1-2-7-5-3-4-6-7;1-2-4-5-3-1/h3-5H,2,6H2,1H3;1-5H
InChIKeyVMVXVRQFFRQVAM-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.30
Rot. Bonds1

About 1-ethylcyclopenta-1,3-diene;1H-pyrrole

1-ethylcyclopenta-1,3-diene;1H-pyrrole (PubChem CID 161342493) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-ethylcyclopenta-1,3-diene;1H-pyrrole.

Molecular Properties

Compound Name1-ethylcyclopenta-1,3-diene;1H-pyrrole
PubChem CID161342493
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-ethylcyclopenta-1,3-diene;1H-pyrrole
SMILESCCC1=CC=CC1.c1cc[nH]c1
InChIInChI=1S/C7H10.C4H5N/c1-2-7-5-3-4-6-7;1-2-4-5-3-1/h3-5H,2,6H2,1H3;1-5H
InChIKeyVMVXVRQFFRQVAM-UHFFFAOYSA-N
XLogP3.30
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethylcyclopenta-1,3-diene
CID 528166
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
(1Z,3Z,6Z,8Z)-1-ethyl-8-methylcyclodeca-1,3,6,8-tetraene
CID 144855425
4-ethyl-2,3-dihydro-1H-diazepine
CID 126668535
1-(2-methylbutyl)cyclopenta-1,3-diene
CID 12615007
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
carbanide;cyclopenta-1,3-dien-1-ylmethanol;titanium(3+);dichloride
CID 87682441
1-(2-chloroethyl)cyclopenta-1,3-diene
CID 67710755
1-(cyclopenta-1,3-dien-1-ylmethyl)pyridin-1-ium
CID 13271537

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclopenta-1,3-diene;1H-pyrrole?
The IUPAC name of 1-ethylcyclopenta-1,3-diene;1H-pyrrole (CID 161342493) is 1-ethylcyclopenta-1,3-diene;1H-pyrrole.
What is the SMILES notation for 1-ethylcyclopenta-1,3-diene;1H-pyrrole?
The canonical SMILES for 1-ethylcyclopenta-1,3-diene;1H-pyrrole is CCC1=CC=CC1.c1cc[nH]c1.
What is the InChIKey of 1-ethylcyclopenta-1,3-diene;1H-pyrrole?
The InChIKey is VMVXVRQFFRQVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C4H5N/c1-2-7-5-3-4-6-7;1-2-4-5-3-1/h3-5H,2,6H2,1H3;1-5H.
What are the key properties of 1-ethylcyclopenta-1,3-diene;1H-pyrrole?
1-ethylcyclopenta-1,3-diene;1H-pyrrole has a molecular weight of 161.25 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclopenta-1,3-diene;1H-pyrrole is sourced from PubChem (CID 161342493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).