4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione

C17H13N3O2 — CID 10125475

IUPAC4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESC=CCn1c2ccccc2c2c3c(c(N)cc21)C(=O)NC3=O
InChIInChI=1S/C17H13N3O2/c1-2-7-20-11-6-4-3-5-9(11)13-12(20)8-10(18)14-15(13)17(22)19-16(14)21/h2-6,8H,1,7,18H2,(H,19,21,22)
InChIKeyCWCVFJXTWXZRBW-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.45
Rot. Bonds2

About 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione

4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10125475) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10125475
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESC=CCn1c2ccccc2c2c3c(c(N)cc21)C(=O)NC3=O
InChIInChI=1S/C17H13N3O2/c1-2-7-20-11-6-4-3-5-9(11)13-12(20)8-10(18)14-15(13)17(22)19-16(14)21/h2-6,8H,1,7,18H2,(H,19,21,22)
InChIKeyCWCVFJXTWXZRBW-UHFFFAOYSA-N
XLogP2.45
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione (CID 10125475) is 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione is C=CCn1c2ccccc2c2c3c(c(N)cc21)C(=O)NC3=O.
What is the InChIKey of 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is CWCVFJXTWXZRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-2-7-20-11-6-4-3-5-9(11)13-12(20)8-10(18)14-15(13)17(22)19-16(14)21/h2-6,8H,1,7,18H2,(H,19,21,22).
What are the key properties of 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione?
4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 291.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-prop-2-enylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10125475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).