5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one

C8H15N3O — CID 82503163

IUPAC5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one
SMILESCCCN1C(=O)CC(CN)=C1N
InChIInChI=1S/C8H15N3O/c1-2-3-11-7(12)4-6(5-9)8(11)10/h2-5,9-10H2,1H3
InChIKeyAIQAVTPNNRGDHT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.24
Rot. Bonds3

About 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one

5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one (PubChem CID 82503163) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one.

Molecular Properties

Compound Name5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one
PubChem CID82503163
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one
SMILESCCCN1C(=O)CC(CN)=C1N
InChIInChI=1S/C8H15N3O/c1-2-3-11-7(12)4-6(5-9)8(11)10/h2-5,9-10H2,1H3
InChIKeyAIQAVTPNNRGDHT-UHFFFAOYSA-N
XLogP-0.24
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one?
The IUPAC name of 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one (CID 82503163) is 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one.
What is the SMILES notation for 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one?
The canonical SMILES for 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one is CCCN1C(=O)CC(CN)=C1N.
What is the InChIKey of 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one?
The InChIKey is AIQAVTPNNRGDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-11-7(12)4-6(5-9)8(11)10/h2-5,9-10H2,1H3.
What are the key properties of 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one?
5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(aminomethyl)-1-propyl-3H-pyrrol-2-one is sourced from PubChem (CID 82503163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).