N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine

C10H12N2O — CID 106888309

IUPACN-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
SMILESCNCc1occc1-c1ccc[nH]1
InChIInChI=1S/C10H12N2O/c1-11-7-10-8(4-6-13-10)9-3-2-5-12-9/h2-6,11-12H,7H2,1H3
InChIKeyLTXNYEVPWWZBBF-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.99
Rot. Bonds3

About N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine

N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine (PubChem CID 106888309) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
PubChem CID106888309
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
SMILESCNCc1occc1-c1ccc[nH]1
InChIInChI=1S/C10H12N2O/c1-11-7-10-8(4-6-13-10)9-3-2-5-12-9/h2-6,11-12H,7H2,1H3
InChIKeyLTXNYEVPWWZBBF-UHFFFAOYSA-N
XLogP1.99
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine (CID 106888309) is N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine is CNCc1occc1-c1ccc[nH]1.
What is the InChIKey of N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine?
The InChIKey is LTXNYEVPWWZBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-11-7-10-8(4-6-13-10)9-3-2-5-12-9/h2-6,11-12H,7H2,1H3.
What are the key properties of N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine?
N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).