3-amino-1-pentyl-2H-pyrrol-5-one

C9H16N2O — CID 70132257

IUPAC3-amino-1-pentyl-2H-pyrrol-5-one
SMILESCCCCCN1CC(N)=CC1=O
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-11-7-8(10)6-9(11)12/h6H,2-5,7,10H2,1H3
InChIKeyDBMOAWFIUOVZAF-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.86
Rot. Bonds4

About 3-amino-1-pentyl-2H-pyrrol-5-one

3-amino-1-pentyl-2H-pyrrol-5-one (PubChem CID 70132257) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-amino-1-pentyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-amino-1-pentyl-2H-pyrrol-5-one
PubChem CID70132257
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-amino-1-pentyl-2H-pyrrol-5-one
SMILESCCCCCN1CC(N)=CC1=O
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-11-7-8(10)6-9(11)12/h6H,2-5,7,10H2,1H3
InChIKeyDBMOAWFIUOVZAF-UHFFFAOYSA-N
XLogP0.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-1-pentyl-4-(pentylamino)pyridin-2-one
CID 127048643
(2Z)-3-amino-1-piperidylbut-2-en-1-one
CID 768586
(E)-3-amino-1-piperidin-1-ylbut-2-en-1-one
CID 98282160
3-(Propylamino)-1,2-dihydropyrrol-5-one
CID 139223926
(Z)-3-(butylamino)-N,N-dimethylbut-2-enamide
CID 11435354
(Z)-N-butyl-3-(butylamino)but-2-enamide
CID 12672794
4-(N-methyl-amino)-N-methyl-2(5H)-pyrrolon
CID 14301350
(Z)-3-amino-N,N-diethylbut-2-enamide
CID 15758189
3-[(2-Aminocyclohexyl)amino]-1,2-dihydropyrrol-5-one
CID 17859605
3-(dimethylamino)-N-propylbut-2-enamide
CID 54003493
(Z)-3-[2-(2-aminoethylamino)ethylamino]-N-butylbut-2-enamide
CID 57549793
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1,2-dihydropyrrol-5-one
CID 58765368

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-pentyl-2H-pyrrol-5-one?
The IUPAC name of 3-amino-1-pentyl-2H-pyrrol-5-one (CID 70132257) is 3-amino-1-pentyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-amino-1-pentyl-2H-pyrrol-5-one?
The canonical SMILES for 3-amino-1-pentyl-2H-pyrrol-5-one is CCCCCN1CC(N)=CC1=O.
What is the InChIKey of 3-amino-1-pentyl-2H-pyrrol-5-one?
The InChIKey is DBMOAWFIUOVZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-5-11-7-8(10)6-9(11)12/h6H,2-5,7,10H2,1H3.
What are the key properties of 3-amino-1-pentyl-2H-pyrrol-5-one?
3-amino-1-pentyl-2H-pyrrol-5-one has a molecular weight of 168.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-pentyl-2H-pyrrol-5-one is sourced from PubChem (CID 70132257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).