4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride

C14H15ClN2O2 — CID 68663344

IUPAC4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccc2c1C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H14N2O2.ClH/c15-9-10-2-1-3-12-13(10)11(17)8-14(18-12)4-6-16-7-5-14;/h1-3,16H,4-8H2;1H
InChIKeyOZCOYMSGZUGWKR-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.07
Rot. Bonds

About 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride

4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride (PubChem CID 68663344) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
PubChem CID68663344
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccc2c1C(=O)CC1(CCNCC1)O2
InChIInChI=1S/C14H14N2O2.ClH/c15-9-10-2-1-3-12-13(10)11(17)8-14(18-12)4-6-16-7-5-14;/h1-3,16H,4-8H2;1H
InChIKeyOZCOYMSGZUGWKR-UHFFFAOYSA-N
XLogP2.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride?
The IUPAC name of 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride (CID 68663344) is 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride.
What is the SMILES notation for 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride?
The canonical SMILES for 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride is Cl.N#Cc1cccc2c1C(=O)CC1(CCNCC1)O2.
What is the InChIKey of 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride?
The InChIKey is OZCOYMSGZUGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.ClH/c15-9-10-2-1-3-12-13(10)11(17)8-14(18-12)4-6-16-7-5-14;/h1-3,16H,4-8H2;1H.
What are the key properties of 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride?
4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride has a molecular weight of 278.74 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxospiro[3H-chromene-2,4'-piperidine]-5-carbonitrile;hydrochloride is sourced from PubChem (CID 68663344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).