[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine

C6H10N2 — CID 89038970

IUPAC[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine
SMILESC[C@H]1C=C(CN)C=N1
InChIInChI=1S/C6H10N2/c1-5-2-6(3-7)4-8-5/h2,4-5H,3,7H2,1H3/t5-/m0/s1
InChIKeyLGJBAVBQJNKAIG-YFKPBYRVSA-N
MW110.16 g/mol
LogP0.34
Rot. Bonds1

About [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine

[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine (PubChem CID 89038970) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine.

Molecular Properties

Compound Name[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine
PubChem CID89038970
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine
SMILESC[C@H]1C=C(CN)C=N1
InChIInChI=1S/C6H10N2/c1-5-2-6(3-7)4-8-5/h2,4-5H,3,7H2,1H3/t5-/m0/s1
InChIKeyLGJBAVBQJNKAIG-YFKPBYRVSA-N
XLogP0.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine?
The IUPAC name of [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine (CID 89038970) is [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine.
What is the SMILES notation for [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine?
The canonical SMILES for [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine is C[C@H]1C=C(CN)C=N1.
What is the InChIKey of [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine?
The InChIKey is LGJBAVBQJNKAIG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-6(3-7)4-8-5/h2,4-5H,3,7H2,1H3/t5-/m0/s1.
What are the key properties of [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine?
[(2S)-2-methyl-2H-pyrrol-4-yl]methanamine has a molecular weight of 110.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-2H-pyrrol-4-yl]methanamine is sourced from PubChem (CID 89038970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).