1-(3-aminopropyl)-5-methylidenepyrrol-2-one

C8H12N2O — CID 145076519

IUPAC1-(3-aminopropyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCN
InChIInChI=1S/C8H12N2O/c1-7-3-4-8(11)10(7)6-2-5-9/h3-4H,1-2,5-6,9H2
InChIKeyBSUWMEAQVAFAEA-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.25
Rot. Bonds3

About 1-(3-aminopropyl)-5-methylidenepyrrol-2-one

1-(3-aminopropyl)-5-methylidenepyrrol-2-one (PubChem CID 145076519) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(3-aminopropyl)-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-5-methylidenepyrrol-2-one
PubChem CID145076519
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(3-aminopropyl)-5-methylidenepyrrol-2-one
SMILESC=C1C=CC(=O)N1CCCN
InChIInChI=1S/C8H12N2O/c1-7-3-4-8(11)10(7)6-2-5-9/h3-4H,1-2,5-6,9H2
InChIKeyBSUWMEAQVAFAEA-UHFFFAOYSA-N
XLogP0.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-5-methylidenepyrrol-2-one?
The IUPAC name of 1-(3-aminopropyl)-5-methylidenepyrrol-2-one (CID 145076519) is 1-(3-aminopropyl)-5-methylidenepyrrol-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-5-methylidenepyrrol-2-one?
The canonical SMILES for 1-(3-aminopropyl)-5-methylidenepyrrol-2-one is C=C1C=CC(=O)N1CCCN.
What is the InChIKey of 1-(3-aminopropyl)-5-methylidenepyrrol-2-one?
The InChIKey is BSUWMEAQVAFAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-7-3-4-8(11)10(7)6-2-5-9/h3-4H,1-2,5-6,9H2.
What are the key properties of 1-(3-aminopropyl)-5-methylidenepyrrol-2-one?
1-(3-aminopropyl)-5-methylidenepyrrol-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-5-methylidenepyrrol-2-one is sourced from PubChem (CID 145076519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).