5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole

C16H23N — CID 69198989

IUPAC5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole
SMILESC1=CCCC(C2=CCCN2C2CCCCC2)=C1
InChIInChI=1S/C16H23N/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h1,3,8,12,15H,2,4-7,9-11,13H2
InChIKeyWNNCVRZGVZZGLE-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.19
Rot. Bonds2

About 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole

5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole (PubChem CID 69198989) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole
PubChem CID69198989
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole
SMILESC1=CCCC(C2=CCCN2C2CCCCC2)=C1
InChIInChI=1S/C16H23N/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h1,3,8,12,15H,2,4-7,9-11,13H2
InChIKeyWNNCVRZGVZZGLE-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole (CID 69198989) is 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole is C1=CCCC(C2=CCCN2C2CCCCC2)=C1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole?
The InChIKey is WNNCVRZGVZZGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-3-8-14(9-4-1)16-12-7-13-17(16)15-10-5-2-6-11-15/h1,3,8,12,15H,2,4-7,9-11,13H2.
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole?
5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole has a molecular weight of 229.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole is sourced from PubChem (CID 69198989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).