5-imino-4-propan-2-ylpyrrolidin-2-one

C7H12N2O — CID 170186942

IUPAC5-imino-4-propan-2-ylpyrrolidin-2-one
SMILES[H]/N=C1\NC(=O)CC1C(C)C
InChIInChI=1S/C7H12N2O/c1-4(2)5-3-6(10)9-7(5)8/h4-5H,3H2,1-2H3,(H2,8,9,10)
InChIKeyGMZIOBPWKAGKFQ-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.76
Rot. Bonds1

About 5-imino-4-propan-2-ylpyrrolidin-2-one

5-imino-4-propan-2-ylpyrrolidin-2-one (PubChem CID 170186942) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-imino-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-imino-4-propan-2-ylpyrrolidin-2-one
PubChem CID170186942
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-imino-4-propan-2-ylpyrrolidin-2-one
SMILES[H]/N=C1\NC(=O)CC1C(C)C
InChIInChI=1S/C7H12N2O/c1-4(2)5-3-6(10)9-7(5)8/h4-5H,3H2,1-2H3,(H2,8,9,10)
InChIKeyGMZIOBPWKAGKFQ-UHFFFAOYSA-N
XLogP0.76
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-5-imino-1-methylpyrrolidin-2-one
CID 124008328
4-Tert-butyl-5-tert-butyliminopyrrolidin-2-one
CID 136028102
4-Ethyl-5-ethyliminopyrrolidin-2-one
CID 136510018
5-Methylimino-3-propylpyrrolidin-2-one
CID 137167702
4-Imino-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-one
CID 140564587
(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
5-Imino-3-methylpyrrolidin-2-one
CID 154046549
5-Imino-4-methylpyrrolidin-2-one
CID 155183688
1-[(4S)-4-(2-methylpropyl)-5-oxopyrrolidin-2-ylidene]guanidine
CID 157857494

Frequently Asked Questions

What is the IUPAC name of 5-imino-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 5-imino-4-propan-2-ylpyrrolidin-2-one (CID 170186942) is 5-imino-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 5-imino-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 5-imino-4-propan-2-ylpyrrolidin-2-one is [H]/N=C1\NC(=O)CC1C(C)C.
What is the InChIKey of 5-imino-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is GMZIOBPWKAGKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(2)5-3-6(10)9-7(5)8/h4-5H,3H2,1-2H3,(H2,8,9,10).
What are the key properties of 5-imino-4-propan-2-ylpyrrolidin-2-one?
5-imino-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-4-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 170186942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).