5-methylimino-3-propylpyrrolidin-2-one

C8H14N2O — CID 137167702

IUPAC5-methylimino-3-propylpyrrolidin-2-one
SMILESCCCC1C/C(=N\C)NC1=O
InChIInChI=1S/C8H14N2O/c1-3-4-6-5-7(9-2)10-8(6)11/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyZAOYBAPNLYMWAI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.95
Rot. Bonds2

About 5-methylimino-3-propylpyrrolidin-2-one

5-methylimino-3-propylpyrrolidin-2-one (PubChem CID 137167702) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 5-methylimino-3-propylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylimino-3-propylpyrrolidin-2-one
PubChem CID137167702
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name5-methylimino-3-propylpyrrolidin-2-one
SMILESCCCC1C/C(=N\C)NC1=O
InChIInChI=1S/C8H14N2O/c1-3-4-6-5-7(9-2)10-8(6)11/h6H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyZAOYBAPNLYMWAI-UHFFFAOYSA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,3a,4,5-Tetrahydro-1H-pyrrolo[2,3-b]pyridine-2,6-dione
CID 592380
N-(C-tert-butyl-N-methylcarbonimidoyl)-2-methylhexanamide
CID 126758868
3-Methyl-5-methyliminopyrrolidin-2-one
CID 135989661
4-Tert-butyl-5-tert-butyliminopyrrolidin-2-one
CID 136028102
4-Ethyl-5-ethyliminopyrrolidin-2-one
CID 136510018
(1Z)-1-[4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 140862413
(1Z)-1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 140862422
(1Z)-1-[(4S)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 140862434
1-[(4R)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 147392604
1-[(4S)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 157857494
1-[4-(2-Methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 157857495
5-Imino-4-propan-2-ylpyrrolidin-2-one
CID 170186942

Frequently Asked Questions

What is the IUPAC name of 5-methylimino-3-propylpyrrolidin-2-one?
The IUPAC name of 5-methylimino-3-propylpyrrolidin-2-one (CID 137167702) is 5-methylimino-3-propylpyrrolidin-2-one.
What is the SMILES notation for 5-methylimino-3-propylpyrrolidin-2-one?
The canonical SMILES for 5-methylimino-3-propylpyrrolidin-2-one is CCCC1C/C(=N\C)NC1=O.
What is the InChIKey of 5-methylimino-3-propylpyrrolidin-2-one?
The InChIKey is ZAOYBAPNLYMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-4-6-5-7(9-2)10-8(6)11/h6H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 5-methylimino-3-propylpyrrolidin-2-one?
5-methylimino-3-propylpyrrolidin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylimino-3-propylpyrrolidin-2-one is sourced from PubChem (CID 137167702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).