1-benzyl-3-methyl-2,3-dihydropyrrole

C12H15N — CID 152546116

IUPAC1-benzyl-3-methyl-2,3-dihydropyrrole
SMILESCC1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H15N/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyYMNCHKQJNNTGJA-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.65
Rot. Bonds2

About 1-benzyl-3-methyl-2,3-dihydropyrrole

1-benzyl-3-methyl-2,3-dihydropyrrole (PubChem CID 152546116) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-benzyl-3-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-benzyl-3-methyl-2,3-dihydropyrrole
PubChem CID152546116
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1-benzyl-3-methyl-2,3-dihydropyrrole
SMILESCC1C=CN(Cc2ccccc2)C1
InChIInChI=1S/C12H15N/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3
InChIKeyYMNCHKQJNNTGJA-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
1-benzyl-3-methyl-2H-imidazole
CID 18674614
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
CID 174997401
(5S)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985399
(5R)-1-benzyl-2,2,5-trimethylpiperazine
CID 94985398
[1-benzyl-4-(4-fluorophenyl)-3,4-dihydro-2H-pyridin-3-yl]methanol
CID 22320564
(3S,6S)-1-benzyl-6-methyl-3,6-dihydro-2H-pyridin-3-ol
CID 11469758
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
1-benzyl-3-methylpiperidine
CID 2794856
1-benzyl-2,3-dihydropyrrole;1-ethyl-2,3-dihydropyrrole
CID 162060855
(3R)-1-benzyl-3-methylpyrrolidine;propane
CID 159003320
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-2,3-dihydropyrrole?
The IUPAC name of 1-benzyl-3-methyl-2,3-dihydropyrrole (CID 152546116) is 1-benzyl-3-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-benzyl-3-methyl-2,3-dihydropyrrole?
The canonical SMILES for 1-benzyl-3-methyl-2,3-dihydropyrrole is CC1C=CN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-methyl-2,3-dihydropyrrole?
The InChIKey is YMNCHKQJNNTGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-11-7-8-13(9-11)10-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3.
What are the key properties of 1-benzyl-3-methyl-2,3-dihydropyrrole?
1-benzyl-3-methyl-2,3-dihydropyrrole has a molecular weight of 173.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 152546116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).