6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione

C14H15FN2O2 — CID 80757870

IUPAC6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCCN(CC1CC1)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C14H15FN2O2/c1-2-17(7-8-3-4-8)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)
InChIKeyPMGJBOJVKFXEOW-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.20
Rot. Bonds4

About 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione

6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione (PubChem CID 80757870) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione
PubChem CID80757870
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione
SMILESCCN(CC1CC1)c1cc2c(cc1F)C(=O)C(=O)N2
InChIInChI=1S/C14H15FN2O2/c1-2-17(7-8-3-4-8)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h5-6,8H,2-4,7H2,1H3,(H,16,18,19)
InChIKeyPMGJBOJVKFXEOW-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclopropyl(cyclopropylmethyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746677
6-[cyclopentyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746568
6-[bis(prop-2-enyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80746657
6-[butan-2-yl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 80747078
5-bromo-6-(diethylamino)-1H-indole-2,3-dione
CID 79335828
5-bromo-6-[cyclopropyl(cyclopropylmethyl)amino]-1H-indole-2,3-dione
CID 79343460
6-[2-ethoxyethyl(methyl)amino]-5-fluoro-1H-indole-2,3-dione
CID 81055874
5-chloro-6-[cyclohexyl(ethyl)amino]-1H-indole-2,3-dione
CID 79342508
5-fluoro-6-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1H-indole-2,3-dione
CID 80728311
4-[cyclobutylmethyl(ethyl)amino]-3-fluorobenzaldehyde
CID 107399466
5-chloro-6-(dipropylamino)-1H-indole-2,3-dione
CID 79336156
6-bromo-5-fluoro-1H-indole-2,3-dione
CID 67517039

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione (CID 80757870) is 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione is CCN(CC1CC1)c1cc2c(cc1F)C(=O)C(=O)N2.
What is the InChIKey of 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is PMGJBOJVKFXEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-17(7-8-3-4-8)12-6-11-9(5-10(12)15)13(18)14(19)16-11/h5-6,8H,2-4,7H2,1H3,(H,16,18,19).
What are the key properties of 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione?
6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 262.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(ethyl)amino]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 80757870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).