(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one

C16H13NO2 — CID 177465545

IUPAC(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccccc31)[C@@H](c1ccco1)CC2=O
InChIInChI=1S/C16H13NO2/c1-17-12-6-3-2-5-10(12)15-11(9-13(18)16(15)17)14-7-4-8-19-14/h2-8,11H,9H2,1H3/t11-/m1/s1
InChIKeyZQJYRUCJCXQTBQ-LLVKDONJSA-N
MW251.29 g/mol
LogP3.49
Rot. Bonds1

About (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one

(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one (PubChem CID 177465545) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one.

Molecular Properties

Compound Name(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
PubChem CID177465545
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one
SMILESCn1c2c(c3ccccc31)[C@@H](c1ccco1)CC2=O
InChIInChI=1S/C16H13NO2/c1-17-12-6-3-2-5-10(12)15-11(9-13(18)16(15)17)14-7-4-8-19-14/h2-8,11H,9H2,1H3/t11-/m1/s1
InChIKeyZQJYRUCJCXQTBQ-LLVKDONJSA-N
XLogP3.49
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2Z,9R)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876615
(2Z,9S)-9-(furan-2-yl)-2-[(1-methylindol-3-yl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 124876614
(1S,12S)-9,20-dimethyl-9,20-diazahexacyclo[10.10.0.02,10.03,8.013,21.014,19]docosa-2(10),3,5,7,13(21),14,16,18-octaene
CID 102058604
N-(furan-2-ylmethyl)-2-[1-(4-methoxyphenyl)-4-methyl-3-oxo-1H-pyrrolo[3,4-b]indol-2-yl]acetamide
CID 20921032
5,10-dimethyl-6-phenyl-9,10-dihydrocyclohepta[b]indol-8-one
CID 135069826
3-[(2R)-2-(furan-2-yl)-2,3-dihydro-1H-1,5-benzodiazepin-4-yl]-4-hydroxy-1-methylquinolin-2-one
CID 136829145
3-bromo-2,10-dimethyl-3,4-dihydroazepino[3,4-b]indole-1,5-dione
CID 154270514
2-(furan-2-yl)-1-methylpyrrolidin-3-one
CID 83826796
4-(4-chlorophenyl)-3-[(3S)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1-methylquinolin-2-one
CID 97310084
3-hydroxy-5-methyl-2,3-dihydrofuro[3,2-c]quinolin-4-one
CID 15329366
2,2,5-trimethyl-3H-[1,3]oxazino[5,6-b]indol-4-one
CID 13285707
(4R)-6-methyl-4-(2-methylphenyl)-3,4-dihydropyrano[3,2-c]quinoline-2,5-dione
CID 7425774

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
The IUPAC name of (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one (CID 177465545) is (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one.
What is the SMILES notation for (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
The canonical SMILES for (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one is Cn1c2c(c3ccccc31)[C@@H](c1ccco1)CC2=O.
What is the InChIKey of (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
The InChIKey is ZQJYRUCJCXQTBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H13NO2/c1-17-12-6-3-2-5-10(12)15-11(9-13(18)16(15)17)14-7-4-8-19-14/h2-8,11H,9H2,1H3/t11-/m1/s1.
What are the key properties of (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one?
(1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one has a molecular weight of 251.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-2-yl)-4-methyl-1,2-dihydrocyclopenta[b]indol-3-one is sourced from PubChem (CID 177465545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).