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

C16H19FN2O2 — CID 103072215

IUPAC7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
SMILESC=C(CNCCC)CN1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C16H19FN2O2/c1-4-5-18-8-11(3)9-19-14-12(15(20)16(19)21)6-10(2)7-13(14)17/h6-7,18H,3-5,8-9H2,1-2H3
InChIKeyWTSWWTLWDYXYSU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.22
Rot. Bonds6

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

7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione (PubChem CID 103072215) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
PubChem CID103072215
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
SMILESC=C(CNCCC)CN1C(=O)C(=O)c2cc(C)cc(F)c21
InChIInChI=1S/C16H19FN2O2/c1-4-5-18-8-11(3)9-19-14-12(15(20)16(19)21)6-10(2)7-13(14)17/h6-7,18H,3-5,8-9H2,1-2H3
InChIKeyWTSWWTLWDYXYSU-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61355002
4-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid
CID 76975057
1-[2-(ethylaminomethyl)prop-2-enyl]-5-methylindole-2,3-dione
CID 103071681
7-fluoro-5-methyl-1-(2-propylsulfonylethyl)indole-2,3-dione
CID 106726077
N-(cyclopropylmethyl)-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61356957
1-(2,3-dihydroxypropyl)-7-fluoro-5-methylindole-2,3-dione
CID 82850929
7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388321
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575
7-fluoro-5-methyl-1-(2-oxo-2-thiophen-2-ylethyl)indole-2,3-dione
CID 62023101
1-[2-(aminomethyl)prop-2-enyl]-7-fluoroindole-2,3-dione
CID 103072739
ethyl 2-fluoro-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetate
CID 81297311

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione (CID 103072215) is 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione is C=C(CNCCC)CN1C(=O)C(=O)c2cc(C)cc(F)c21.
What is the InChIKey of 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione?
The InChIKey is WTSWWTLWDYXYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-5-18-8-11(3)9-19-14-12(15(20)16(19)21)6-10(2)7-13(14)17/h6-7,18H,3-5,8-9H2,1-2H3.
What are the key properties of 7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione?
7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione has a molecular weight of 290.34 g/mol, XLogP of 2.22, 6 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-(propylaminomethyl)prop-2-enyl]indole-2,3-dione is sourced from PubChem (CID 103072215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).