1-(hexylamino)pyrrole-2,5-dione

C10H16N2O2 — CID 68628927

IUPAC1-(hexylamino)pyrrole-2,5-dione
SMILESCCCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-8-11-12-9(13)6-7-10(12)14/h6-7,11H,2-5,8H2,1H3
InChIKeyMFYWXMQDUICHQI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.00
Rot. Bonds6

About 1-(hexylamino)pyrrole-2,5-dione

1-(hexylamino)pyrrole-2,5-dione (PubChem CID 68628927) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(hexylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(hexylamino)pyrrole-2,5-dione
PubChem CID68628927
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(hexylamino)pyrrole-2,5-dione
SMILESCCCCCCNN1C(=O)C=CC1=O
InChIInChI=1S/C10H16N2O2/c1-2-3-4-5-8-11-12-9(13)6-7-10(12)14/h6-7,11H,2-5,8H2,1H3
InChIKeyMFYWXMQDUICHQI-UHFFFAOYSA-N
XLogP1.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-pyrrol-1-ylhexylamino)pyrrole-2,5-dione
CID 174388536
1-hexadecylpyrrole-2,5-dione
CID 4526314
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
N-butyl-2,5-dioxopyrrole-1-carboxamide
CID 102248992
N-hexyl-2,5-dimethylpyrrol-1-amine
CID 79101002
N-octylpyrrol-1-amine
CID 69416123
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
1-(pentylamino)azetidin-2-one
CID 67724941
3-[(2,5-dioxopyrrol-1-yl)amino]-2,2-dimethylpropanal
CID 155058688
N-octylaziridin-1-amine
CID 175164558
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806

Frequently Asked Questions

What is the IUPAC name of 1-(hexylamino)pyrrole-2,5-dione?
The IUPAC name of 1-(hexylamino)pyrrole-2,5-dione (CID 68628927) is 1-(hexylamino)pyrrole-2,5-dione.
What is the SMILES notation for 1-(hexylamino)pyrrole-2,5-dione?
The canonical SMILES for 1-(hexylamino)pyrrole-2,5-dione is CCCCCCNN1C(=O)C=CC1=O.
What is the InChIKey of 1-(hexylamino)pyrrole-2,5-dione?
The InChIKey is MFYWXMQDUICHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-5-8-11-12-9(13)6-7-10(12)14/h6-7,11H,2-5,8H2,1H3.
What are the key properties of 1-(hexylamino)pyrrole-2,5-dione?
1-(hexylamino)pyrrole-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylamino)pyrrole-2,5-dione is sourced from PubChem (CID 68628927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).