(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride

C12H12Cl2N2O — CID 23516925

IUPAC(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride
SMILESCl.O=C1Nc2c(Cl)cccc2[C@@]12C=CCNC2
InChIInChI=1S/C12H11ClN2O.ClH/c13-9-4-1-3-8-10(9)15-11(16)12(8)5-2-6-14-7-12;/h1-5,14H,6-7H2,(H,15,16);1H/t12-;/m0./s1
InChIKeyNVDKENWLIYUNOV-YDALLXLXSA-N
MW271.15 g/mol
LogP2.11
Rot. Bonds

About (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride

(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride (PubChem CID 23516925) has the molecular formula C12H12Cl2N2O and a molecular weight of 271.15 g/mol. Its IUPAC name is (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride.

Molecular Properties

Compound Name(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride
PubChem CID23516925
Molecular FormulaC12H12Cl2N2O
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride
SMILESCl.O=C1Nc2c(Cl)cccc2[C@@]12C=CCNC2
InChIInChI=1S/C12H11ClN2O.ClH/c13-9-4-1-3-8-10(9)15-11(16)12(8)5-2-6-14-7-12;/h1-5,14H,6-7H2,(H,15,16);1H/t12-;/m0./s1
InChIKeyNVDKENWLIYUNOV-YDALLXLXSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride?
The IUPAC name of (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride (CID 23516925) is (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride.
What is the SMILES notation for (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride?
The canonical SMILES for (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride is Cl.O=C1Nc2c(Cl)cccc2[C@@]12C=CCNC2.
What is the InChIKey of (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride?
The InChIKey is NVDKENWLIYUNOV-YDALLXLXSA-N. The full InChI is InChI=1S/C12H11ClN2O.ClH/c13-9-4-1-3-8-10(9)15-11(16)12(8)5-2-6-14-7-12;/h1-5,14H,6-7H2,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride?
(3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride has a molecular weight of 271.15 g/mol, XLogP of 2.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-chlorospiro[1H-indole-3,3'-2,6-dihydro-1H-pyridine]-2-one;hydrochloride is sourced from PubChem (CID 23516925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).