(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

C14H10ClNO2 — CID 15956358

IUPAC(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccco1
InChIInChI=1S/C14H10ClNO2/c15-8-3-4-11-9(6-8)14(13(17)16-11)7-10(14)12-2-1-5-18-12/h1-6,10H,7H2,(H,16,17)/t10-,14-/m1/s1
InChIKeyPYADYULIOLCLIK-QMTHXVAHSA-N
MW259.69 g/mol
LogP3.31
Rot. Bonds1

About (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one

(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (PubChem CID 15956358) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
PubChem CID15956358
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccco1
InChIInChI=1S/C14H10ClNO2/c15-8-3-4-11-9(6-8)14(13(17)16-11)7-10(14)12-2-1-5-18-12/h1-6,10H,7H2,(H,16,17)/t10-,14-/m1/s1
InChIKeyPYADYULIOLCLIK-QMTHXVAHSA-N
XLogP3.31
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The IUPAC name of (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one (CID 15956358) is (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one.
What is the SMILES notation for (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The canonical SMILES for (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1ccco1.
What is the InChIKey of (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
The InChIKey is PYADYULIOLCLIK-QMTHXVAHSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-8-3-4-11-9(6-8)14(13(17)16-11)7-10(14)12-2-1-5-18-12/h1-6,10H,7H2,(H,16,17)/t10-,14-/m1/s1.
What are the key properties of (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one?
(2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one has a molecular weight of 259.69 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-5-chloro-2'-(furan-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 15956358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).