carbon dioxide;3-ethyl-2H-pyrrol-4-amine

C7H10N2O2 — CID 159163765

IUPACcarbon dioxide;3-ethyl-2H-pyrrol-4-amine
SMILESCCC1=C(N)C=NC1.O=C=O
InChIInChI=1S/C6H10N2.CO2/c1-2-5-3-8-4-6(5)7;2-1-3/h4H,2-3,7H2,1H3;
InChIKeyKKUWVPISTKAMCH-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.11
Rot. Bonds1

About carbon dioxide;3-ethyl-2H-pyrrol-4-amine

carbon dioxide;3-ethyl-2H-pyrrol-4-amine (PubChem CID 159163765) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is carbon dioxide;3-ethyl-2H-pyrrol-4-amine.

Molecular Properties

Compound Namecarbon dioxide;3-ethyl-2H-pyrrol-4-amine
PubChem CID159163765
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namecarbon dioxide;3-ethyl-2H-pyrrol-4-amine
SMILESCCC1=C(N)C=NC1.O=C=O
InChIInChI=1S/C6H10N2.CO2/c1-2-5-3-8-4-6(5)7;2-1-3/h4H,2-3,7H2,1H3;
InChIKeyKKUWVPISTKAMCH-UHFFFAOYSA-N
XLogP0.11
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;3-ethyl-2H-pyrrol-4-amine?
The IUPAC name of carbon dioxide;3-ethyl-2H-pyrrol-4-amine (CID 159163765) is carbon dioxide;3-ethyl-2H-pyrrol-4-amine.
What is the SMILES notation for carbon dioxide;3-ethyl-2H-pyrrol-4-amine?
The canonical SMILES for carbon dioxide;3-ethyl-2H-pyrrol-4-amine is CCC1=C(N)C=NC1.O=C=O.
What is the InChIKey of carbon dioxide;3-ethyl-2H-pyrrol-4-amine?
The InChIKey is KKUWVPISTKAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.CO2/c1-2-5-3-8-4-6(5)7;2-1-3/h4H,2-3,7H2,1H3;.
What are the key properties of carbon dioxide;3-ethyl-2H-pyrrol-4-amine?
carbon dioxide;3-ethyl-2H-pyrrol-4-amine has a molecular weight of 154.17 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;3-ethyl-2H-pyrrol-4-amine is sourced from PubChem (CID 159163765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).