5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one

C7H12N2O — CID 163802594

IUPAC5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
SMILESCC(C)C1N=C(N)CC1=O
InChIInChI=1S/C7H12N2O/c1-4(2)7-5(10)3-6(8)9-7/h4,7H,3H2,1-2H3,(H2,8,9)
InChIKeyNGHCQLZPPWFVSX-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.34
Rot. Bonds1

About 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one

5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one (PubChem CID 163802594) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one.

Molecular Properties

Compound Name5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
PubChem CID163802594
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one
SMILESCC(C)C1N=C(N)CC1=O
InChIInChI=1S/C7H12N2O/c1-4(2)7-5(10)3-6(8)9-7/h4,7H,3H2,1-2H3,(H2,8,9)
InChIKeyNGHCQLZPPWFVSX-UHFFFAOYSA-N
XLogP0.34
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
The IUPAC name of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one (CID 163802594) is 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one.
What is the SMILES notation for 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
The canonical SMILES for 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one is CC(C)C1N=C(N)CC1=O.
What is the InChIKey of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
The InChIKey is NGHCQLZPPWFVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4(2)7-5(10)3-6(8)9-7/h4,7H,3H2,1-2H3,(H2,8,9).
What are the key properties of 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one?
5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-propan-2-yl-2,4-dihydropyrrol-3-one is sourced from PubChem (CID 163802594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).