2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone

C14H18ClN3O — CID 90463977

IUPAC2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
SMILESCN1C[C@]2(CCN(C(=O)CN)C2)c2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-17-8-14(4-5-18(9-14)13(19)7-16)11-6-10(15)2-3-12(11)17/h2-3,6H,4-5,7-9,16H2,1H3/t14-/m0/s1
InChIKeyZKCSYDGSXKUGDN-AWEZNQCLSA-N
MW279.77 g/mol
LogP1.22
Rot. Bonds1

About 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone

2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone (PubChem CID 90463977) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
PubChem CID90463977
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone
SMILESCN1C[C@]2(CCN(C(=O)CN)C2)c2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-17-8-14(4-5-18(9-14)13(19)7-16)11-6-10(15)2-3-12(11)17/h2-3,6H,4-5,7-9,16H2,1H3/t14-/m0/s1
InChIKeyZKCSYDGSXKUGDN-AWEZNQCLSA-N
XLogP1.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
The IUPAC name of 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone (CID 90463977) is 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone is CN1C[C@]2(CCN(C(=O)CN)C2)c2cc(Cl)ccc21.
What is the InChIKey of 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
The InChIKey is ZKCSYDGSXKUGDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-17-8-14(4-5-18(9-14)13(19)7-16)11-6-10(15)2-3-12(11)17/h2-3,6H,4-5,7-9,16H2,1H3/t14-/m0/s1.
What are the key properties of 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone?
2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone has a molecular weight of 279.77 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3S)-5-chloro-1-methylspiro[2H-indole-3,3'-pyrrolidine]-1'-yl]ethanone is sourced from PubChem (CID 90463977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).