(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

C15H19N3O2 — CID 129369255

IUPAC(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCCCNC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-8-16-14(20)18-9-7-15(10-18)11-5-3-4-6-12(11)17-13(15)19/h3-6H,2,7-10H2,1H3,(H,16,20)(H,17,19)/t15-/m1/s1
InChIKeyKMSUJBFTCMSNJJ-OAHLLOKOSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds2

About (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide

(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (PubChem CID 129369255) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.

Molecular Properties

Compound Name(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
PubChem CID129369255
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide
SMILESCCCNC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-8-16-14(20)18-9-7-15(10-18)11-5-3-4-6-12(11)17-13(15)19/h3-6H,2,7-10H2,1H3,(H,16,20)(H,17,19)/t15-/m1/s1
InChIKeyKMSUJBFTCMSNJJ-OAHLLOKOSA-N
XLogP1.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Ropinirole
CID 5095
3,3-Dimethyl-1,3-dihydro-indol-2-one
CID 313100
Brl46470;brl-46470;brl 46470
CID 9883287
4-(2-(Propylamino)ethyl)indolin-2-one hydrochloride
CID 23322039
Brl-46470
CID 71785
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
tert-butyl (2'S,3S)-2-oxo-2'-(3-phenylphenyl)spiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
CID 162671542
3-[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 3606093
5-Butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 16229725
N-(2-Methylphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24818661
N-(1-butyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2954226
Spiro[2H-indole-2,2'-piperidin]-6'-one, 1,3-dihydro-1,3,3-trimethyl-
CID 3242250

Frequently Asked Questions

What is the IUPAC name of (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The IUPAC name of (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide (CID 129369255) is (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide.
What is the SMILES notation for (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The canonical SMILES for (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is CCCNC(=O)N1CC[C@]2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
The InChIKey is KMSUJBFTCMSNJJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-8-16-14(20)18-9-7-15(10-18)11-5-3-4-6-12(11)17-13(15)19/h3-6H,2,7-10H2,1H3,(H,16,20)(H,17,19)/t15-/m1/s1.
What are the key properties of (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide?
(3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-oxo-N-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-carboxamide is sourced from PubChem (CID 129369255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).