(1-methylpyrrol-3-yl)methanamine

C6H10N2 — CID 55254375

IUPAC(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(CN)c1
InChIInChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h2-3,5H,4,7H2,1H3
InChIKeyZAOLDHBNVDOBDU-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.48
Rot. Bonds1

About (1-methylpyrrol-3-yl)methanamine

(1-methylpyrrol-3-yl)methanamine (PubChem CID 55254375) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (1-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylpyrrol-3-yl)methanamine
PubChem CID55254375
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(1-methylpyrrol-3-yl)methanamine
SMILESCn1ccc(CN)c1
InChIInChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h2-3,5H,4,7H2,1H3
InChIKeyZAOLDHBNVDOBDU-UHFFFAOYSA-N
XLogP0.48
TPSA30.95 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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-3-yl)methanamine?
The IUPAC name of (1-methylpyrrol-3-yl)methanamine (CID 55254375) is (1-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1-methylpyrrol-3-yl)methanamine?
The canonical SMILES for (1-methylpyrrol-3-yl)methanamine is Cn1ccc(CN)c1.
What is the InChIKey of (1-methylpyrrol-3-yl)methanamine?
The InChIKey is ZAOLDHBNVDOBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h2-3,5H,4,7H2,1H3.
What are the key properties of (1-methylpyrrol-3-yl)methanamine?
(1-methylpyrrol-3-yl)methanamine has a molecular weight of 110.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 55254375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).