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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Related Compounds

N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
Spiro(1-benzopyran-2,4'-piperidin)-4(3H)-one--hydrogen chloride (1/1)
CID 2771097
(E)-N-hydroxy-3-(4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl)prop-2-enamide
CID 44253363
Spiro(chroman-2,4'-piperidin)-4-one
CID 2050002
spiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
CID 16643165
4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 45489156
2-[3-(3-Hydroxypropylamino)propyl]-5-methyl-2,3-dihydrochromen-4-one
CID 155547224
1',8,8-trimethylspiro[9,10-dihydro-2H-pyrano[3,2-f]chromene-3,4'-piperidine]-1-one
CID 171355376
6-fluorospiro[chromene-2,4'-piperidin]-4-(3H)-one
CID 16671868
(2S)-spiro[3H-chromene-2,3'-piperidine]-4-one
CID 95735238
3-[2-(2-fluorophenyl)ethyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 56986665
7-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 58041390

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).