5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole

C12H17N — CID 141476476

IUPAC5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC1C=CC=CC1(C)C1=NCCC1
InChIInChI=1S/C12H17N/c1-10-6-3-4-8-12(10,2)11-7-5-9-13-11/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyALPWUBMVZZMVBF-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.99
Rot. Bonds1

About 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole

5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole (PubChem CID 141476476) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole
PubChem CID141476476
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole
SMILESCC1C=CC=CC1(C)C1=NCCC1
InChIInChI=1S/C12H17N/c1-10-6-3-4-8-12(10,2)11-7-5-9-13-11/h3-4,6,8,10H,5,7,9H2,1-2H3
InChIKeyALPWUBMVZZMVBF-UHFFFAOYSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole (CID 141476476) is 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole is CC1C=CC=CC1(C)C1=NCCC1.
What is the InChIKey of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole?
The InChIKey is ALPWUBMVZZMVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-6-3-4-8-12(10,2)11-7-5-9-13-11/h3-4,6,8,10H,5,7,9H2,1-2H3.
What are the key properties of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole?
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole has a molecular weight of 175.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 141476476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).