1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione

C9H14N2O2 — CID 130234844

IUPAC1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
SMILESCCNC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2/c1-4-10-9(2,3)11-7(12)5-6-8(11)13/h5-6,10H,4H2,1-3H3
InChIKeyKBFHTAIBSAHKCO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.26
Rot. Bonds3

About 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione

1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione (PubChem CID 130234844) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
PubChem CID130234844
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione
SMILESCCNC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H14N2O2/c1-4-10-9(2,3)11-7(12)5-6-8(11)13/h5-6,10H,4H2,1-3H3
InChIKeyKBFHTAIBSAHKCO-UHFFFAOYSA-N
XLogP0.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylnonadecan-2-yl)pyrrole-2,5-dione
CID 139640710
1-(5-amino-3,5-dimethylhexan-3-yl)pyrrole-2,5-dione
CID 166780503
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640
N-ethylethanamine;1-ethylpyrrole-2,5-dione
CID 19877873
1-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]pyrrole-2,5-dione
CID 139543847
1-(2,3,3,4-tetramethylpentan-2-yl)pyrrole-2,5-dione
CID 177002738
4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid
CID 62044403
formaldehyde;thiohydroxylamine;1-(2,4,4-trimethylpentan-2-yl)pyrrole-2,5-dione
CID 165141180
3-[(2,5-dioxopyrrol-1-yl)amino]-2,2-dimethylpropanal
CID 155058688
1-(1,3-dihydroxy-2-methoxypentan-3-yl)pyrrole-2,5-dione
CID 70954645
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoroundecyl)pyrrole-2,5-dione
CID 130475750
1-ethyl-5-sulfanylidenepyrrol-2-one
CID 14956216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione (CID 130234844) is 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione is CCNC(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione?
The InChIKey is KBFHTAIBSAHKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-10-9(2,3)11-7(12)5-6-8(11)13/h5-6,10H,4H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione?
1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)propan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 130234844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).