(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile

C19H16N2O2 — CID 102289299

IUPAC(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
SMILESCOc1ccc(CN2C(=O)[C@@]3(C[C@@H]3C#N)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O2/c1-23-15-8-6-13(7-9-15)12-21-17-5-3-2-4-16(17)19(18(21)22)10-14(19)11-20/h2-9,14H,10,12H2,1H3/t14-,19-/m1/s1
InChIKeyODEKIMYZFCBINA-AUUYWEPGSA-N
MW304.35 g/mol
LogP3.02
Rot. Bonds3

About (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile

(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile (PubChem CID 102289299) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile.

Molecular Properties

Compound Name(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
PubChem CID102289299
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
SMILESCOc1ccc(CN2C(=O)[C@@]3(C[C@@H]3C#N)c3ccccc32)cc1
InChIInChI=1S/C19H16N2O2/c1-23-15-8-6-13(7-9-15)12-21-17-5-3-2-4-16(17)19(18(21)22)10-14(19)11-20/h2-9,14H,10,12H2,1H3/t14-,19-/m1/s1
InChIKeyODEKIMYZFCBINA-AUUYWEPGSA-N
XLogP3.02
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-chloro-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 97033010
(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile
CID 56647121
(3R)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3-prop-2-enylindol-2-one
CID 24862080
3,3-dibromo-1-[(4-methoxyphenyl)methyl]-2-oxoindole-4-carbonitrile
CID 68736816
(3R)-1-benzyl-3-(N-hydroxyanilino)-3-[(4-methoxyphenyl)methyl]indol-2-one
CID 56934766
1-benzyl-3-(4-methoxyanilino)-3-prop-2-ynylindol-2-one
CID 46845735
1-[(4-methoxyphenyl)methyl]-3-pyrrol-1-yl-3H-indol-2-one
CID 71728903
1-butyl-1'-[(4-methoxyphenyl)methyl]spiro[2,3-dihydro-1,8-naphthyridine-4,3'-indole]-2'-one
CID 122231206
N-[4-[3-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-yl]phenyl]sulfonylacetamide
CID 178048049
(3R)-1-[(4-chlorophenyl)methyl]-3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1311083
(3S)-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1-[(4-nitrophenyl)methyl]indol-2-one
CID 42588490
N-[4-acetyl-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[1,3,4-thiadiazole-5,3'-indole]-2-yl]acetamide
CID 20896495

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
The IUPAC name of (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile (CID 102289299) is (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile.
What is the SMILES notation for (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
The canonical SMILES for (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile is COc1ccc(CN2C(=O)[C@@]3(C[C@@H]3C#N)c3ccccc32)cc1.
What is the InChIKey of (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
The InChIKey is ODEKIMYZFCBINA-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-23-15-8-6-13(7-9-15)12-21-17-5-3-2-4-16(17)19(18(21)22)10-14(19)11-20/h2-9,14H,10,12H2,1H3/t14-,19-/m1/s1.
What are the key properties of (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile?
(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile has a molecular weight of 304.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile is sourced from PubChem (CID 102289299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).