[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine

C10H13N3 — CID 96630256

IUPAC[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
SMILESCc1[nH]c(-c2ccc[nH]2)cc1CN
InChIInChI=1S/C10H13N3/c1-7-8(6-11)5-10(13-7)9-3-2-4-12-9/h2-5,12-13H,6,11H2,1H3
InChIKeyHYHQIJQDOUGDKY-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.78
Rot. Bonds2

About [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine

[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine (PubChem CID 96630256) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
PubChem CID96630256
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
SMILESCc1[nH]c(-c2ccc[nH]2)cc1CN
InChIInChI=1S/C10H13N3/c1-7-8(6-11)5-10(13-7)9-3-2-4-12-9/h2-5,12-13H,6,11H2,1H3
InChIKeyHYHQIJQDOUGDKY-UHFFFAOYSA-N
XLogP1.78
TPSA57.60 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine?
The IUPAC name of [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine (CID 96630256) is [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine.
What is the SMILES notation for [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine?
The canonical SMILES for [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine is Cc1[nH]c(-c2ccc[nH]2)cc1CN.
What is the InChIKey of [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine?
The InChIKey is HYHQIJQDOUGDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-7-8(6-11)5-10(13-7)9-3-2-4-12-9/h2-5,12-13H,6,11H2,1H3.
What are the key properties of [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine?
[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine has a molecular weight of 175.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine is sourced from PubChem (CID 96630256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).