1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole

C11H13N — CID 142108490

IUPAC1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole
SMILESCC1C=CC=C(n2cccc2)C1
InChIInChI=1S/C11H13N/c1-10-5-4-6-11(9-10)12-7-2-3-8-12/h2-8,10H,9H2,1H3
InChIKeyPUYFLXTWTVANMZ-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.92
Rot. Bonds1

About 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole

1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole (PubChem CID 142108490) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole.

Molecular Properties

Compound Name1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole
PubChem CID142108490
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole
SMILESCC1C=CC=C(n2cccc2)C1
InChIInChI=1S/C11H13N/c1-10-5-4-6-11(9-10)12-7-2-3-8-12/h2-8,10H,9H2,1H3
InChIKeyPUYFLXTWTVANMZ-UHFFFAOYSA-N
XLogP2.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole-2,5-dione
CID 66669295
1-ethyl-5-methylcyclohexa-1,3-diene
CID 123887743
(5S)-1-methoxy-5-methylcyclohexa-1,3-diene
CID 70326868
1-(2-cyclohexylethyl)-5-methylcyclohexa-1,3-diene
CID 123503605
5-methylcyclohexa-1,3-diene-1-carbaldehyde
CID 71400816
5-methylcyclohexa-1,3-diene-1-sulfonamide
CID 134238552
N,5-dimethyl-N-oxidocyclohexa-1,3-dien-1-amine
CID 163587303
2-(5-methylcyclohexa-1,3-dien-1-yl)ethynylbenzene
CID 15394481
N-ethenyl-5-methylcyclohexa-1,3-dien-1-amine
CID 146385734
4-(5-methylcyclohexa-1,3-dien-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-7-carbaldehyde
CID 91190104
3-chloro-7-(1-hydroxyethyl)-6-(5-methylcyclohexa-1,3-dien-1-yl)imidazo[1,2-c]pyrimidin-5-one
CID 123859313
3-[4-[10-[4-[9-(cyclohexen-1-yl)carbazol-3-yl]phenyl]-2,3,6,7-tetramethylanthracen-9-yl]phenyl]-9-(5-methylcyclohexa-1,3-dien-1-yl)carbazole
CID 163537418

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole?
The IUPAC name of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole (CID 142108490) is 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole.
What is the SMILES notation for 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole?
The canonical SMILES for 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole is CC1C=CC=C(n2cccc2)C1.
What is the InChIKey of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole?
The InChIKey is PUYFLXTWTVANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-10-5-4-6-11(9-10)12-7-2-3-8-12/h2-8,10H,9H2,1H3.
What are the key properties of 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole?
1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole has a molecular weight of 159.23 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohexa-1,3-dien-1-yl)pyrrole is sourced from PubChem (CID 142108490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).