(2-methyl-3H-pyrrol-4-yl)methanamine

C6H10N2 — CID 145436153

IUPAC(2-methyl-3H-pyrrol-4-yl)methanamine
SMILESCC1=NC=C(CN)C1
InChIInChI=1S/C6H10N2/c1-5-2-6(3-7)4-8-5/h4H,2-3,7H2,1H3
InChIKeyDMWOOQKFZMOVRR-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.69
Rot. Bonds1

About (2-methyl-3H-pyrrol-4-yl)methanamine

(2-methyl-3H-pyrrol-4-yl)methanamine (PubChem CID 145436153) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (2-methyl-3H-pyrrol-4-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-3H-pyrrol-4-yl)methanamine
PubChem CID145436153
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(2-methyl-3H-pyrrol-4-yl)methanamine
SMILESCC1=NC=C(CN)C1
InChIInChI=1S/C6H10N2/c1-5-2-6(3-7)4-8-5/h4H,2-3,7H2,1H3
InChIKeyDMWOOQKFZMOVRR-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-pyrrol-4-yl)methanamine?
The IUPAC name of (2-methyl-3H-pyrrol-4-yl)methanamine (CID 145436153) is (2-methyl-3H-pyrrol-4-yl)methanamine.
What is the SMILES notation for (2-methyl-3H-pyrrol-4-yl)methanamine?
The canonical SMILES for (2-methyl-3H-pyrrol-4-yl)methanamine is CC1=NC=C(CN)C1.
What is the InChIKey of (2-methyl-3H-pyrrol-4-yl)methanamine?
The InChIKey is DMWOOQKFZMOVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-5-2-6(3-7)4-8-5/h4H,2-3,7H2,1H3.
What are the key properties of (2-methyl-3H-pyrrol-4-yl)methanamine?
(2-methyl-3H-pyrrol-4-yl)methanamine has a molecular weight of 110.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-pyrrol-4-yl)methanamine is sourced from PubChem (CID 145436153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).