7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one

C18H17N3O2 — CID 90855444

IUPAC7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
SMILESCCN1Cc2c(-c3ccccc3)cc3c(c2C1)NC(=O)C3N=O
InChIInChI=1S/C18H17N3O2/c1-2-21-9-14-12(11-6-4-3-5-7-11)8-13-16(15(14)10-21)19-18(22)17(13)20-23/h3-8,17H,2,9-10H2,1H3,(H,19,22)
InChIKeySGVOPGSHXRIINX-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds3

About 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one

7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one (PubChem CID 90855444) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one.

Molecular Properties

Compound Name7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
PubChem CID90855444
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one
SMILESCCN1Cc2c(-c3ccccc3)cc3c(c2C1)NC(=O)C3N=O
InChIInChI=1S/C18H17N3O2/c1-2-21-9-14-12(11-6-4-3-5-7-11)8-13-16(15(14)10-21)19-18(22)17(13)20-23/h3-8,17H,2,9-10H2,1H3,(H,19,22)
InChIKeySGVOPGSHXRIINX-UHFFFAOYSA-N
XLogP3.45
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one?
The IUPAC name of 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one (CID 90855444) is 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one.
What is the SMILES notation for 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one?
The canonical SMILES for 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one is CCN1Cc2c(-c3ccccc3)cc3c(c2C1)NC(=O)C3N=O.
What is the InChIKey of 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one?
The InChIKey is SGVOPGSHXRIINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-21-9-14-12(11-6-4-3-5-7-11)8-13-16(15(14)10-21)19-18(22)17(13)20-23/h3-8,17H,2,9-10H2,1H3,(H,19,22).
What are the key properties of 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one?
7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-nitroso-5-phenyl-1,3,6,8-tetrahydropyrrolo[3,4-g]indol-2-one is sourced from PubChem (CID 90855444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).