N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide

C18H23N3O2 — CID 164923758

IUPACN-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide
SMILESC=CCCC(C(=O)NC)N1Cc2cc3c(cc2C1=O)CN(C)C3
InChIInChI=1S/C18H23N3O2/c1-4-5-6-16(17(22)19-2)21-11-14-7-12-9-20(3)10-13(12)8-15(14)18(21)23/h4,7-8,16H,1,5-6,9-11H2,2-3H3,(H,19,22)
InChIKeyYONYIDSFNLOYTP-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.67
Rot. Bonds5

About N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide

N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide (PubChem CID 164923758) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide
PubChem CID164923758
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide
SMILESC=CCCC(C(=O)NC)N1Cc2cc3c(cc2C1=O)CN(C)C3
InChIInChI=1S/C18H23N3O2/c1-4-5-6-16(17(22)19-2)21-11-14-7-12-9-20(3)10-13(12)8-15(14)18(21)23/h4,7-8,16H,1,5-6,9-11H2,2-3H3,(H,19,22)
InChIKeyYONYIDSFNLOYTP-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
2-[6-[4-(4-formylpiperazin-1-yl)piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-methylhex-5-enamide
CID 167480600
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 170731571
2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727235
ethane;2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727234
2-[6-[[(2-chloroacetyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 167232625
ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 169161654
N-methyl-2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)hex-5-enamide
CID 170105065
N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide
CID 156721862
2-[1,3-dioxo-6-(2-oxoethyl)-5,7-dihydropyrrolo[3,4-f]isoindol-2-yl]-N-methyl-5-oxopentanamide;methanol
CID 164924001

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide?
The IUPAC name of N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide (CID 164923758) is N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide.
What is the SMILES notation for N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide?
The canonical SMILES for N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide is C=CCCC(C(=O)NC)N1Cc2cc3c(cc2C1=O)CN(C)C3.
What is the InChIKey of N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide?
The InChIKey is YONYIDSFNLOYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-5-6-16(17(22)19-2)21-11-14-7-12-9-20(3)10-13(12)8-15(14)18(21)23/h4,7-8,16H,1,5-6,9-11H2,2-3H3,(H,19,22).
What are the key properties of N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide?
N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide has a molecular weight of 313.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide is sourced from PubChem (CID 164923758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).