2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide

C15H24N2O2 — CID 167447350

IUPAC2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide
SMILESCN1CCC(NC=O)C1.COc1cc(C)ccc1C
InChIInChI=1S/C9H12O.C6H12N2O/c1-7-4-5-8(2)9(6-7)10-3;1-8-3-2-6(4-8)7-5-9/h4-6H,1-3H3;5-6H,2-4H2,1H3,(H,7,9)
InChIKeyBUHSMHYXRFZFHB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide

2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide (PubChem CID 167447350) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide.

Molecular Properties

Compound Name2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide
PubChem CID167447350
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide
SMILESCN1CCC(NC=O)C1.COc1cc(C)ccc1C
InChIInChI=1S/C9H12O.C6H12N2O/c1-7-4-5-8(2)9(6-7)10-3;1-8-3-2-6(4-8)7-5-9/h4-6H,1-3H3;5-6H,2-4H2,1H3,(H,7,9)
InChIKeyBUHSMHYXRFZFHB-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide?
The IUPAC name of 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide (CID 167447350) is 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide.
What is the SMILES notation for 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide?
The canonical SMILES for 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide is CN1CCC(NC=O)C1.COc1cc(C)ccc1C.
What is the InChIKey of 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide?
The InChIKey is BUHSMHYXRFZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C6H12N2O/c1-7-4-5-8(2)9(6-7)10-3;1-8-3-2-6(4-8)7-5-9/h4-6H,1-3H3;5-6H,2-4H2,1H3,(H,7,9).
What are the key properties of 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide?
2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide has a molecular weight of 264.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,4-dimethylbenzene;N-(1-methylpyrrolidin-3-yl)formamide is sourced from PubChem (CID 167447350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).