1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one

C14H18NO2+ — CID 7219629

IUPAC1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
SMILESC[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3/p+1
InChIKeyDCENWWFAIVPRAC-UHFFFAOYSA-O
MW232.30 g/mol
LogP0.70
Rot. Bonds

About 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one

1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one (PubChem CID 7219629) has the molecular formula C14H18NO2+ and a molecular weight of 232.30 g/mol. Its IUPAC name is 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one.

Molecular Properties

Compound Name1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
PubChem CID7219629
Molecular FormulaC14H18NO2+
Molecular Weight232.30 g/mol
Exact Mass232.13
IUPAC Name1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
SMILESC[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3/p+1
InChIKeyDCENWWFAIVPRAC-UHFFFAOYSA-O
XLogP0.70
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114671404
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
2-methylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,2'-3H-chromene]-4'-one
CID 18723438
1'-propan-2-ylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 114671516
N-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)formamide
CID 54242450
2,2-dimethyl-3H-chromen-4-one;ethane
CID 90690524
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
1'-(4-methylphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260663
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one?
The IUPAC name of 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one (CID 7219629) is 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one.
What is the SMILES notation for 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one?
The canonical SMILES for 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one is C[NH+]1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one?
The InChIKey is DCENWWFAIVPRAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17NO2/c1-15-8-6-14(7-9-15)10-12(16)11-4-2-3-5-13(11)17-14/h2-5H,6-10H2,1H3/p+1.
What are the key properties of 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one?
1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one has a molecular weight of 232.30 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one is sourced from PubChem (CID 7219629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).