5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine

C10H14N2 — CID 167058856

IUPAC5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine
SMILESCC1=C(C2=NCC(N)=C2)CC1C
InChIInChI=1S/C10H14N2/c1-6-3-9(7(6)2)10-4-8(11)5-12-10/h4,6H,3,5,11H2,1-2H3
InChIKeyIDTHAYSTIAIAMU-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.64
Rot. Bonds1

About 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine

5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine (PubChem CID 167058856) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine.

Molecular Properties

Compound Name5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine
PubChem CID167058856
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine
SMILESCC1=C(C2=NCC(N)=C2)CC1C
InChIInChI=1S/C10H14N2/c1-6-3-9(7(6)2)10-4-8(11)5-12-10/h4,6H,3,5,11H2,1-2H3
InChIKeyIDTHAYSTIAIAMU-UHFFFAOYSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine?
The IUPAC name of 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine (CID 167058856) is 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine.
What is the SMILES notation for 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine?
The canonical SMILES for 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine is CC1=C(C2=NCC(N)=C2)CC1C.
What is the InChIKey of 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine?
The InChIKey is IDTHAYSTIAIAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-6-3-9(7(6)2)10-4-8(11)5-12-10/h4,6H,3,5,11H2,1-2H3.
What are the key properties of 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine?
5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine has a molecular weight of 162.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylcyclobuten-1-yl)-2H-pyrrol-3-amine is sourced from PubChem (CID 167058856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).