1,2-dimethylpyrrolidine;4-methylbenzaldehyde

C14H21NO — CID 142809260

IUPAC1,2-dimethylpyrrolidine;4-methylbenzaldehyde
SMILESCC1CCCN1C.Cc1ccc(C=O)cc1
InChIInChI=1S/C8H8O.C6H13N/c1-7-2-4-8(6-9)5-3-7;1-6-4-3-5-7(6)2/h2-6H,1H3;6H,3-5H2,1-2H3
InChIKeyDRWBVVXBAJWVTA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds1

About 1,2-dimethylpyrrolidine;4-methylbenzaldehyde

1,2-dimethylpyrrolidine;4-methylbenzaldehyde (PubChem CID 142809260) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,2-dimethylpyrrolidine;4-methylbenzaldehyde.

Molecular Properties

Compound Name1,2-dimethylpyrrolidine;4-methylbenzaldehyde
PubChem CID142809260
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1,2-dimethylpyrrolidine;4-methylbenzaldehyde
SMILESCC1CCCN1C.Cc1ccc(C=O)cc1
InChIInChI=1S/C8H8O.C6H13N/c1-7-2-4-8(6-9)5-3-7;1-6-4-3-5-7(6)2/h2-6H,1H3;6H,3-5H2,1-2H3
InChIKeyDRWBVVXBAJWVTA-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrolidine;4-methylbenzaldehyde?
The IUPAC name of 1,2-dimethylpyrrolidine;4-methylbenzaldehyde (CID 142809260) is 1,2-dimethylpyrrolidine;4-methylbenzaldehyde.
What is the SMILES notation for 1,2-dimethylpyrrolidine;4-methylbenzaldehyde?
The canonical SMILES for 1,2-dimethylpyrrolidine;4-methylbenzaldehyde is CC1CCCN1C.Cc1ccc(C=O)cc1.
What is the InChIKey of 1,2-dimethylpyrrolidine;4-methylbenzaldehyde?
The InChIKey is DRWBVVXBAJWVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C6H13N/c1-7-2-4-8(6-9)5-3-7;1-6-4-3-5-7(6)2/h2-6H,1H3;6H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethylpyrrolidine;4-methylbenzaldehyde?
1,2-dimethylpyrrolidine;4-methylbenzaldehyde has a molecular weight of 219.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrolidine;4-methylbenzaldehyde is sourced from PubChem (CID 142809260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).