N-methoxy-1-(1-methylpyrrol-2-yl)methanamine

C7H12N2O — CID 82706215

IUPACN-methoxy-1-(1-methylpyrrol-2-yl)methanamine
SMILESCONCc1cccn1C
InChIInChI=1S/C7H12N2O/c1-9-5-3-4-7(9)6-8-10-2/h3-5,8H,6H2,1-2H3
InChIKeyKJPWOBULNWNECJ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.68
Rot. Bonds3

About N-methoxy-1-(1-methylpyrrol-2-yl)methanamine

N-methoxy-1-(1-methylpyrrol-2-yl)methanamine (PubChem CID 82706215) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-methoxy-1-(1-methylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(1-methylpyrrol-2-yl)methanamine
PubChem CID82706215
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-methoxy-1-(1-methylpyrrol-2-yl)methanamine
SMILESCONCc1cccn1C
InChIInChI=1S/C7H12N2O/c1-9-5-3-4-7(9)6-8-10-2/h3-5,8H,6H2,1-2H3
InChIKeyKJPWOBULNWNECJ-UHFFFAOYSA-N
XLogP0.68
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(1-methylpyrrol-2-yl)methanamine?
The IUPAC name of N-methoxy-1-(1-methylpyrrol-2-yl)methanamine (CID 82706215) is N-methoxy-1-(1-methylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(1-methylpyrrol-2-yl)methanamine?
The canonical SMILES for N-methoxy-1-(1-methylpyrrol-2-yl)methanamine is CONCc1cccn1C.
What is the InChIKey of N-methoxy-1-(1-methylpyrrol-2-yl)methanamine?
The InChIKey is KJPWOBULNWNECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-9-5-3-4-7(9)6-8-10-2/h3-5,8H,6H2,1-2H3.
What are the key properties of N-methoxy-1-(1-methylpyrrol-2-yl)methanamine?
N-methoxy-1-(1-methylpyrrol-2-yl)methanamine has a molecular weight of 140.19 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(1-methylpyrrol-2-yl)methanamine is sourced from PubChem (CID 82706215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).