1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole

C13H17N — CID 167578402

IUPAC1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole
SMILESCc1ccccc1C1=CN(C)CC1C
InChIInChI=1S/C13H17N/c1-10-6-4-5-7-12(10)13-9-14(3)8-11(13)2/h4-7,9,11H,8H2,1-3H3
InChIKeyGXFZQADHFIVEKR-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.92
Rot. Bonds1

About 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole

1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole (PubChem CID 167578402) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole
PubChem CID167578402
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole
SMILESCc1ccccc1C1=CN(C)CC1C
InChIInChI=1S/C13H17N/c1-10-6-4-5-7-12(10)13-9-14(3)8-11(13)2/h4-7,9,11H,8H2,1-3H3
InChIKeyGXFZQADHFIVEKR-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 140997796
ethene;1-methyl-2-(2-methylphenyl)benzene
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dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
2-(2,3-dimethylphenyl)-1-methyl-1H-indene
CID 21095571
2-methyl-1-(2-methylphenyl)-3H-isoquinoline
CID 21053257
[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 86284378
2,3-dimethyl-5-(2-methylphenyl)furan
CID 172731165
(3R)-1,3-dimethyl-2,3-dihydroquinolin-4-one
CID 40508089
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
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(2S,3R)-1,2,3-trimethyl-2-(2-methylphenyl)aziridine
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1,2-xylene
CID 173422016

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole?
The IUPAC name of 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole (CID 167578402) is 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole?
The canonical SMILES for 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole is Cc1ccccc1C1=CN(C)CC1C.
What is the InChIKey of 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole?
The InChIKey is GXFZQADHFIVEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-10-6-4-5-7-12(10)13-9-14(3)8-11(13)2/h4-7,9,11H,8H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole?
1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole has a molecular weight of 187.29 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 1,3-dimethyl-4-(2-methylphenyl)-2,3-dihydropyrrole is sourced from PubChem (CID 167578402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).