1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole

C13H17N — CID 145028183

IUPAC1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole
SMILESCCCC1=CC(n2cccc2)=CCC1
InChIInChI=1S/C13H17N/c1-2-6-12-7-5-8-13(11-12)14-9-3-4-10-14/h3-4,8-11H,2,5-7H2,1H3
InChIKeyVKKVNASRTSNHAZ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.85
Rot. Bonds3

About 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole

1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole (PubChem CID 145028183) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole.

Molecular Properties

Compound Name1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole
PubChem CID145028183
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole
SMILESCCCC1=CC(n2cccc2)=CCC1
InChIInChI=1S/C13H17N/c1-2-6-12-7-5-8-13(11-12)14-9-3-4-10-14/h3-4,8-11H,2,5-7H2,1H3
InChIKeyVKKVNASRTSNHAZ-UHFFFAOYSA-N
XLogP3.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 86205685
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CID 123607448
1-ethyl-3-methylcyclohexa-1,3-diene
CID 18512584
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
1-methyl-4-[5-(2-methylpropyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 143588276
1,3-dichloro-2-propylcyclohexa-1,3-diene;methane
CID 167701959
6-propyl-4,5-dihydro-3H-azepine
CID 142044849
1-tert-butyl-3-propylcyclohexa-1,3-diene;ethane
CID 145378812
(5E)-1,5-dipropyl-3,4,7,8-tetrahydro-2H-azocine
CID 154954008
4-propylcyclohexa-1,3-dien-1-ol
CID 129018446
1,4-dipropylcyclopenta-1,3-diene
CID 19391248

Frequently Asked Questions

What is the IUPAC name of 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole?
The IUPAC name of 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole (CID 145028183) is 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole.
What is the SMILES notation for 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole?
The canonical SMILES for 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole is CCCC1=CC(n2cccc2)=CCC1.
What is the InChIKey of 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole?
The InChIKey is VKKVNASRTSNHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-6-12-7-5-8-13(11-12)14-9-3-4-10-14/h3-4,8-11H,2,5-7H2,1H3.
What are the key properties of 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole?
1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propylcyclohexa-1,5-dien-1-yl)pyrrole is sourced from PubChem (CID 145028183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).