N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide

C13H15N3O2 — CID 134073266

IUPACN-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
SMILESNCCNC(=O)C1CC12C(=O)Nc1ccccc12
InChIInChI=1S/C13H15N3O2/c14-5-6-15-11(17)9-7-13(9)8-3-1-2-4-10(8)16-12(13)18/h1-4,9H,5-7,14H2,(H,15,17)(H,16,18)
InChIKeyGWGBIVCIPLVDBR-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.03
Rot. Bonds3

About N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide

N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 134073266) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
PubChem CID134073266
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
SMILESNCCNC(=O)C1CC12C(=O)Nc1ccccc12
InChIInChI=1S/C13H15N3O2/c14-5-6-15-11(17)9-7-13(9)8-3-1-2-4-10(8)16-12(13)18/h1-4,9H,5-7,14H2,(H,15,17)(H,16,18)
InChIKeyGWGBIVCIPLVDBR-UHFFFAOYSA-N
XLogP-0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1'R,3S)-N-(cyclopropylmethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide
CID 97413025
N-(2-aminoethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119384935
ethyl 2-oxo-5-phenylspiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200842
N-(2-aminoethyl)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120603623
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
(2'S,3S)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carbohydrazide
CID 163846050
(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 131857394
N-(3,4-dihydroxybutyl)-1'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
CID 142784329
methyl (2'R,3R,5'R)-2-oxo-5'-phenylspiro[1H-indole-3,4'-pyrrolidine]-2'-carboxylate
CID 162648038
2'-pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 3882374
(2S,3R,8R)-N-[2-(4-fluorophenyl)ethyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163318712
(2'S,3S)-2-oxo-2'-phenylspiro[1H-indole-3,1'-cyclopropane]-5-carboxylic acid
CID 99979078

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide (CID 134073266) is N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide is NCCNC(=O)C1CC12C(=O)Nc1ccccc12.
What is the InChIKey of N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is GWGBIVCIPLVDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-5-6-15-11(17)9-7-13(9)8-3-1-2-4-10(8)16-12(13)18/h1-4,9H,5-7,14H2,(H,15,17)(H,16,18).
What are the key properties of N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide?
N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 245.28 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-oxospiro[1H-indole-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 134073266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).