5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one

C16H13FN2O — CID 178070297

IUPAC5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESNc1cc2c(cc1F)N(c1ccccc1)C(=O)C21CC1
InChIInChI=1S/C16H13FN2O/c17-12-9-14-11(8-13(12)18)16(6-7-16)15(20)19(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7,18H2
InChIKeyZECGFVYINZRXJF-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.12
Rot. Bonds1

About 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one

5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 178070297) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID178070297
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESNc1cc2c(cc1F)N(c1ccccc1)C(=O)C21CC1
InChIInChI=1S/C16H13FN2O/c17-12-9-14-11(8-13(12)18)16(6-7-16)15(20)19(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7,18H2
InChIKeyZECGFVYINZRXJF-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2'-oxo-1'-phenylspiro[cyclopropane-1,3'-indole]-5'-carbaldehyde
CID 164735014
5-fluoro-1'-methyl-1-pyridin-3-ylspiro[indole-3,4'-piperidine]-2-one;hydrochloride
CID 118741579
5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
CID 171843834
2-(5,6-difluoro-1,3-diphenylbenzimidazol-2-ylidene)-5,6-difluoro-1,3-diphenylbenzimidazole
CID 129174928
carbonyl difluoride;5'-[2-(4-methyl-1,1-dioxothian-4-yl)acetyl]-1'-phenylspiro[cyclopentane-1,3'-indole]-2'-one
CID 165052573
1'-(cyclopropylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134788995
methyl (2S)-2-amino-3-[4-(6'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoate
CID 164588529
8-phenyl-6,8-diazaspiro[3.5]nonane-5,7,9-trione
CID 112598541
(2S)-2-amino-3-[4-(7'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)phenyl]propanoic acid
CID 170341801
1'-(cyclohexylmethyl)-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134791375
1,4-diphenylpiperidine-2,6-dione
CID 2812798
1'-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-phenylspiro[indole-3,3'-pyrrolidine]-2-one
CID 134790656

Frequently Asked Questions

What is the IUPAC name of 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one (CID 178070297) is 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one is Nc1cc2c(cc1F)N(c1ccccc1)C(=O)C21CC1.
What is the InChIKey of 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is ZECGFVYINZRXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-12-9-14-11(8-13(12)18)16(6-7-16)15(20)19(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7,18H2.
What are the key properties of 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one?
5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 268.29 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-amino-6'-fluoro-1'-phenylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 178070297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).