1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen

C20H25FN2O — CID 145258256

IUPAC1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen
SMILESO=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.[H][H]
InChIInChI=1S/C20H23FN2O.H2/c21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12;/h2-3,10-13,16-17,22H,1,4-9H2;1H
InChIKeyZGUXRJGPTFQHLO-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.28
Rot. Bonds3

About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen (PubChem CID 145258256) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen.

Molecular Properties

Compound Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen
PubChem CID145258256
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen
SMILESO=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.[H][H]
InChIInChI=1S/C20H23FN2O.H2/c21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12;/h2-3,10-13,16-17,22H,1,4-9H2;1H
InChIKeyZGUXRJGPTFQHLO-UHFFFAOYSA-N
XLogP4.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one
CID 71695895
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2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
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1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
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2-amino-4-(6-fluoro-1H-indol-3-yl)butanal;molecular hydrogen;hydrobromide
CID 145225925
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487

Frequently Asked Questions

What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen (CID 145258256) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen is O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.[H][H].
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen?
The InChIKey is ZGUXRJGPTFQHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.H2/c21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12;/h2-3,10-13,16-17,22H,1,4-9H2;1H.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen has a molecular weight of 328.43 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen is sourced from PubChem (CID 145258256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).