5-(aminomethyl)-2,3-dihydropyrrol-4-one

C5H8N2O — CID 90851823

IUPAC5-(aminomethyl)-2,3-dihydropyrrol-4-one
SMILESNCC1=NCCC1=O
InChIInChI=1S/C5H8N2O/c6-3-4-5(8)1-2-7-4/h1-3,6H2
InChIKeyGWFMQRQXALKYMW-UHFFFAOYSA-N
MW112.13 g/mol
LogP-0.64
Rot. Bonds1

About 5-(aminomethyl)-2,3-dihydropyrrol-4-one

5-(aminomethyl)-2,3-dihydropyrrol-4-one (PubChem CID 90851823) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-dihydropyrrol-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-dihydropyrrol-4-one
PubChem CID90851823
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-(aminomethyl)-2,3-dihydropyrrol-4-one
SMILESNCC1=NCCC1=O
InChIInChI=1S/C5H8N2O/c6-3-4-5(8)1-2-7-4/h1-3,6H2
InChIKeyGWFMQRQXALKYMW-UHFFFAOYSA-N
XLogP-0.64
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-Diamino-2,4-didiazopentan-3-one
CID 54262980
1-(Methylamino)-4-methyliminopentan-3-one
CID 88688170
4-Amino-3-methyliminopentan-2-one
CID 123465200
1-Amino-2-iminopentan-3-one
CID 156063354

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-dihydropyrrol-4-one?
The IUPAC name of 5-(aminomethyl)-2,3-dihydropyrrol-4-one (CID 90851823) is 5-(aminomethyl)-2,3-dihydropyrrol-4-one.
What is the SMILES notation for 5-(aminomethyl)-2,3-dihydropyrrol-4-one?
The canonical SMILES for 5-(aminomethyl)-2,3-dihydropyrrol-4-one is NCC1=NCCC1=O.
What is the InChIKey of 5-(aminomethyl)-2,3-dihydropyrrol-4-one?
The InChIKey is GWFMQRQXALKYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c6-3-4-5(8)1-2-7-4/h1-3,6H2.
What are the key properties of 5-(aminomethyl)-2,3-dihydropyrrol-4-one?
5-(aminomethyl)-2,3-dihydropyrrol-4-one has a molecular weight of 112.13 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-dihydropyrrol-4-one is sourced from PubChem (CID 90851823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).