N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide

C21H23N3O3 — CID 158060020

IUPACN-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C21H23N3O3/c1-2-20(26)23-16-5-3-4-13(16)12-19(25)15-7-6-14-10-18-21(27)22-8-9-24(18)17(14)11-15/h2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,22,27)(H,23,26)
InChIKeyFKNHNDRJWFRCGD-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.43
Rot. Bonds5

About N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide

N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide (PubChem CID 158060020) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide
PubChem CID158060020
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide
SMILESC=CC(=O)NC1CCCC1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C21H23N3O3/c1-2-20(26)23-16-5-3-4-13(16)12-19(25)15-7-6-14-10-18-21(27)22-8-9-24(18)17(14)11-15/h2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,22,27)(H,23,26)
InChIKeyFKNHNDRJWFRCGD-UHFFFAOYSA-N
XLogP2.43
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide?
The IUPAC name of N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide (CID 158060020) is N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide.
What is the SMILES notation for N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide?
The canonical SMILES for N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide is C=CC(=O)NC1CCCC1CC(=O)c1ccc2cc3n(c2c1)CCNC3=O.
What is the InChIKey of N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide?
The InChIKey is FKNHNDRJWFRCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-2-20(26)23-16-5-3-4-13(16)12-19(25)15-7-6-14-10-18-21(27)22-8-9-24(18)17(14)11-15/h2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,22,27)(H,23,26).
What are the key properties of N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide?
N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indol-7-yl)ethyl]cyclopentyl]prop-2-enamide is sourced from PubChem (CID 158060020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).