1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole

C11H15N — CID 89192258

IUPAC1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole
SMILESCC1=CC=C(N2C=CCC2)CC1
InChIInChI=1S/C11H15N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyIZEWDHHGOGSVTG-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.83
Rot. Bonds1

About 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole

1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole (PubChem CID 89192258) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole
PubChem CID89192258
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole
SMILESCC1=CC=C(N2C=CCC2)CC1
InChIInChI=1S/C11H15N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2,4,6,8H,3,5,7,9H2,1H3
InChIKeyIZEWDHHGOGSVTG-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole?
The IUPAC name of 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole (CID 89192258) is 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole?
The canonical SMILES for 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole is CC1=CC=C(N2C=CCC2)CC1.
What is the InChIKey of 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole?
The InChIKey is IZEWDHHGOGSVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-10-4-6-11(7-5-10)12-8-2-3-9-12/h2,4,6,8H,3,5,7,9H2,1H3.
What are the key properties of 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole?
1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole has a molecular weight of 161.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrrole is sourced from PubChem (CID 89192258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).