carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium

C15H29N3O4 — CID 158230878

IUPACcarbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium
SMILESC=CCCC(=O)[O-].C=CCN.C=CCN.C=CC[NH3+].O=C=O
InChIInChI=1S/C5H8O2.3C3H7N.CO2/c1-2-3-4-5(6)7;3*1-2-3-4;2-1-3/h2H,1,3-4H2,(H,6,7);3*2H,1,3-4H2;
InChIKeyGEJGIJKRADEMJG-UHFFFAOYSA-N
MW315.41 g/mol
LogP-1.20
Rot. Bonds6

About carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium

carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium (PubChem CID 158230878) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium.

Molecular Properties

Compound Namecarbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium
PubChem CID158230878
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Namecarbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium
SMILESC=CCCC(=O)[O-].C=CCN.C=CCN.C=CC[NH3+].O=C=O
InChIInChI=1S/C5H8O2.3C3H7N.CO2/c1-2-3-4-5(6)7;3*1-2-3-4;2-1-3/h2H,1,3-4H2,(H,6,7);3*2H,1,3-4H2;
InChIKeyGEJGIJKRADEMJG-UHFFFAOYSA-N
XLogP-1.20
TPSA153.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bicyclo[2.2.1]hept-2-ene;pent-4-enoate
CID 86597587
ethenone;prop-2-en-1-amine
CID 173182769
cobalt;undec-10-enoate
CID 160733678
iron(2+);bis(undec-10-enoate)
CID 89315244
aluminum tris(3-oxohept-6-enoate)
CID 173427604
calcium undec-10-enoate
CID 23617473
lithium dec-9-enoate
CID 23716774
aminomethyl pent-4-enoate
CID 123806014
azanium but-3-enoate
CID 87111540
2-aminoethylazanium;prop-2-enoate
CID 118678416
diethylalumanylium;undec-10-enoate
CID 21401828
indium(3+);octadec-1-ene;tris(tetradecanoate)
CID 175277283

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium?
The IUPAC name of carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium (CID 158230878) is carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium.
What is the SMILES notation for carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium?
The canonical SMILES for carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium is C=CCCC(=O)[O-].C=CCN.C=CCN.C=CC[NH3+].O=C=O.
What is the InChIKey of carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium?
The InChIKey is GEJGIJKRADEMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.3C3H7N.CO2/c1-2-3-4-5(6)7;3*1-2-3-4;2-1-3/h2H,1,3-4H2,(H,6,7);3*2H,1,3-4H2;.
What are the key properties of carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium?
carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium has a molecular weight of 315.41 g/mol, XLogP of -1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;pent-4-enoate;bis(prop-2-en-1-amine);prop-2-enylazanium is sourced from PubChem (CID 158230878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).