N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

C15H26N4O3 — CID 22521939

IUPACN-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCCN(CC)CCNC(=O)CN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C15H26N4O3/c1-3-17(4-2)9-7-16-13(20)10-18-11-14(21)19-8-5-6-12(19)15(18)22/h12H,3-11H2,1-2H3,(H,16,20)
InChIKeyNIBCBNOAAPGSFR-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.72
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (PubChem CID 22521939) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
PubChem CID22521939
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCCN(CC)CCNC(=O)CN1CC(=O)N2CCCC2C1=O
InChIInChI=1S/C15H26N4O3/c1-3-17(4-2)9-7-16-13(20)10-18-11-14(21)19-8-5-6-12(19)15(18)22/h12H,3-11H2,1-2H3,(H,16,20)
InChIKeyNIBCBNOAAPGSFR-UHFFFAOYSA-N
XLogP-0.72
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (CID 22521939) is N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is CCN(CC)CCNC(=O)CN1CC(=O)N2CCCC2C1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The InChIKey is NIBCBNOAAPGSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-3-17(4-2)9-7-16-13(20)10-18-11-14(21)19-8-5-6-12(19)15(18)22/h12H,3-11H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide has a molecular weight of 310.40 g/mol, XLogP of -0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 22521939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).