2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide

C11H17N3O — CID 66407506

IUPAC2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cccc1CN)C1CC1
InChIInChI=1S/C11H17N3O/c1-13(9-4-5-9)11(15)8-14-6-2-3-10(14)7-12/h2-3,6,9H,4-5,7-8,12H2,1H3
InChIKeyLWAIBNWJVRDWNQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.57
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide

2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide (PubChem CID 66407506) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide
PubChem CID66407506
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cccc1CN)C1CC1
InChIInChI=1S/C11H17N3O/c1-13(9-4-5-9)11(15)8-14-6-2-3-10(14)7-12/h2-3,6,9H,4-5,7-8,12H2,1H3
InChIKeyLWAIBNWJVRDWNQ-UHFFFAOYSA-N
XLogP0.57
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide (CID 66407506) is 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cccc1CN)C1CC1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide?
The InChIKey is LWAIBNWJVRDWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13(9-4-5-9)11(15)8-14-6-2-3-10(14)7-12/h2-3,6,9H,4-5,7-8,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide?
2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide has a molecular weight of 207.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrol-1-yl]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 66407506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).