7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione

C16H19FN2O2 — CID 103072216

IUPAC7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C16H19FN2O2/c1-9(2)18-7-11(4)8-19-14-12(15(20)16(19)21)5-10(3)6-13(14)17/h5-6,9,18H,4,7-8H2,1-3H3
InChIKeyBWUSALIOGSCYJD-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.22
Rot. Bonds5

About 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione

7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione (PubChem CID 103072216) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
PubChem CID103072216
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
SMILESC=C(CNC(C)C)CN1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C16H19FN2O2/c1-9(2)18-7-11(4)8-19-14-12(15(20)16(19)21)5-10(3)6-13(14)17/h5-6,9,18H,4,7-8H2,1-3H3
InChIKeyBWUSALIOGSCYJD-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072215
5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103071684
7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388321
7-chloro-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072176
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61355002
1-(2,3-dihydroxypropyl)-7-fluoro-5-methylindole-2,3-dione
CID 82850929
4-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid
CID 76975057
5-methoxy-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072193
N-(cyclopropylmethyl)-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61356957
7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
CID 62023101
7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
CID 64865870
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione (CID 103072216) is 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione is C=C(CNC(C)C)CN1C(=O)C(=O)c2cc(C)cc(F)c21.
What is the InChIKey of 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
The InChIKey is BWUSALIOGSCYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-9(2)18-7-11(4)8-19-14-12(15(20)16(19)21)5-10(3)6-13(14)17/h5-6,9,18H,4,7-8H2,1-3H3.
What are the key properties of 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione?
7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione has a molecular weight of 290.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103072216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).