1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one

C20H19NO3 — CID 164977768

IUPAC1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one
SMILESO=C(CCc1ccco1)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C20H19NO3/c22-15(9-10-16-4-3-11-24-16)12-21-13-18(20(23)14-7-8-14)17-5-1-2-6-19(17)21/h1-6,11,13-14H,7-10,12H2
InChIKeyFAMDFZWHTVBXFC-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.03
Rot. Bonds7

About 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one

1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one (PubChem CID 164977768) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one.

Molecular Properties

Compound Name1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one
PubChem CID164977768
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one
SMILESO=C(CCc1ccco1)Cn1cc(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C20H19NO3/c22-15(9-10-16-4-3-11-24-16)12-21-13-18(20(23)14-7-8-14)17-5-1-2-6-19(17)21/h1-6,11,13-14H,7-10,12H2
InChIKeyFAMDFZWHTVBXFC-UHFFFAOYSA-N
XLogP4.03
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 963182
2-[3-(cyclohexanecarbonyl)indol-1-yl]acetate
CID 3428348
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-methyl-N-phenylacetamide
CID 21370258
2-[3-(cyclopropanecarbonyl)indol-1-yl]-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 963220
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
N-tert-butyl-2-[3-(cyclohexanecarbonyl)indol-1-yl]acetamide
CID 955482
2-(3-benzoylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 1089001
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
1-(furan-2-yl)hept-6-yn-3-one
CID 105100759

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one?
The IUPAC name of 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one (CID 164977768) is 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one.
What is the SMILES notation for 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one?
The canonical SMILES for 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one is O=C(CCc1ccco1)Cn1cc(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one?
The InChIKey is FAMDFZWHTVBXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c22-15(9-10-16-4-3-11-24-16)12-21-13-18(20(23)14-7-8-14)17-5-1-2-6-19(17)21/h1-6,11,13-14H,7-10,12H2.
What are the key properties of 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one?
1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one has a molecular weight of 321.38 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropanecarbonyl)indol-1-yl]-4-(furan-2-yl)butan-2-one is sourced from PubChem (CID 164977768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).