4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine

C14H26N2O3 — CID 145076683

IUPAC4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
SMILESCC.CCCNC.O=CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO3.C4H11N.C2H6/c10-6-2-1-5-9-7(11)3-4-8(9)12;1-3-4-5-2;1-2/h3-4,6H,1-2,5H2;5H,3-4H2,1-2H3;1-2H3
InChIKeyYJSHJCUKDFUTJA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds6

About 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine

4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine (PubChem CID 145076683) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
PubChem CID145076683
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine
SMILESCC.CCCNC.O=CCCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO3.C4H11N.C2H6/c10-6-2-1-5-9-7(11)3-4-8(9)12;1-3-4-5-2;1-2/h3-4,6H,1-2,5H2;5H,3-4H2,1-2H3;1-2H3
InChIKeyYJSHJCUKDFUTJA-UHFFFAOYSA-N
XLogP1.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-butylpyrrole-2,5-dione;silane
CID 160820729
N-methylpropan-1-amine;pentanal
CID 145316342
1-hexadecylpyrrole-2,5-dione
CID 4526314
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
N-[2-(2,5-dioxopyrrol-1-yl)ethyl]formamide
CID 118485994
1-[[3-(methylamino)propylamino]methyl]pyrrole-2,5-dione
CID 20666019
1-[2-(2,5-dioxopyrrol-1-yl)ethyl]-3-[2-(methylamino)ethyl]urea
CID 142400579
N-[2-[7-(2,5-dioxopyrrol-1-yl)heptylamino]ethyl]formamide
CID 177148966
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
azane;1-[7-(2,5-dioxopyrrol-1-yl)heptyl]pyrrole-2,5-dione;propan-1-amine
CID 70219860

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine (CID 145076683) is 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine is CC.CCCNC.O=CCCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine?
The InChIKey is YJSHJCUKDFUTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C4H11N.C2H6/c10-6-2-1-5-9-7(11)3-4-8(9)12;1-3-4-5-2;1-2/h3-4,6H,1-2,5H2;5H,3-4H2,1-2H3;1-2H3.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine?
4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine has a molecular weight of 270.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanal;ethane;N-methylpropan-1-amine is sourced from PubChem (CID 145076683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).