furan-2,5-dione;N-propylpropan-1-amine

C10H17NO3 — CID 159497181

IUPACfuran-2,5-dione;N-propylpropan-1-amine
SMILESCCCNCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C6H15N.C4H2O3/c1-3-5-7-6-4-2;5-3-1-2-4(6)7-3/h7H,3-6H2,1-2H3;1-2H
InChIKeyLYXVOAPIMLSLMQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds4

About furan-2,5-dione;N-propylpropan-1-amine

furan-2,5-dione;N-propylpropan-1-amine (PubChem CID 159497181) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is furan-2,5-dione;N-propylpropan-1-amine.

Molecular Properties

Compound Namefuran-2,5-dione;N-propylpropan-1-amine
PubChem CID159497181
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namefuran-2,5-dione;N-propylpropan-1-amine
SMILESCCCNCCC.O=C1C=CC(=O)O1
InChIInChI=1S/C6H15N.C4H2O3/c1-3-5-7-6-4-2;5-3-1-2-4(6)7-3/h7H,3-6H2,1-2H3;1-2H
InChIKeyLYXVOAPIMLSLMQ-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-isopropylaminocrotonate
CID 19778141
ZINC;2-[2-[2-(2-azanidylethylamino)ethylamino]ethylamino]ethylazanide;furan-2,5-dione
CID 6455538
ethyl (E)-4-[[(E)-4-ethoxy-4-oxobut-2-enyl]amino]but-2-enoate
CID 10083046
2-(butylamino)ethyl (E)-but-2-enoate
CID 17856168
3-(Propylamino)propyl prop-2-enoate
CID 18325538
Ethyl 4-n-propylaminocrotonate
CID 19778147
ethyl (E)-4-[[(2E)-penta-2,4-dienyl]amino]but-2-enoate
CID 22075360
ethyl (E)-4-[[(2E,4E)-hexa-2,4-dienyl]amino]but-2-enoate
CID 22075363
N-ethylethanamine;ethyl prop-2-enoate
CID 22134064
3-(Ethylamino)propyl prop-2-enoate;hydrochloride
CID 22475655
1-(Propylamino)propyl prop-2-enoate
CID 22756323
Propyl 4-oxo-4-(propylamino)but-2-enoate
CID 53666829

Frequently Asked Questions

What is the IUPAC name of furan-2,5-dione;N-propylpropan-1-amine?
The IUPAC name of furan-2,5-dione;N-propylpropan-1-amine (CID 159497181) is furan-2,5-dione;N-propylpropan-1-amine.
What is the SMILES notation for furan-2,5-dione;N-propylpropan-1-amine?
The canonical SMILES for furan-2,5-dione;N-propylpropan-1-amine is CCCNCCC.O=C1C=CC(=O)O1.
What is the InChIKey of furan-2,5-dione;N-propylpropan-1-amine?
The InChIKey is LYXVOAPIMLSLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H2O3/c1-3-5-7-6-4-2;5-3-1-2-4(6)7-3/h7H,3-6H2,1-2H3;1-2H.
What are the key properties of furan-2,5-dione;N-propylpropan-1-amine?
furan-2,5-dione;N-propylpropan-1-amine has a molecular weight of 199.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2,5-dione;N-propylpropan-1-amine is sourced from PubChem (CID 159497181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).