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

C14H17NO2 — CID 1233903

IUPAC1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(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
InChIKeyDCENWWFAIVPRAC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.12
Rot. Bonds

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

1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 1233903) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID1233903
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCN1CCC2(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
InChIKeyDCENWWFAIVPRAC-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Polysulfide rubber
CID 2856734
3,4-Dihydrospiro[1-benzopyran-2,1'-cyclohexane]-4-one
CID 11106781
Flavamine
CID 27443
2,2-Dimethyl-chroman-4-one
CID 7454290
1'-Benzylspiro[chroman-2,4'-piperidin]-4-one
CID 2427316
2-(1-Benzylpiperidin-4-yl)-2,3-dihydrochromen-4-one
CID 23465639
Spiro(1-benzopyran-2,4'-piperidin)-4(3H)-one--hydrogen chloride (1/1)
CID 2771097
3-(4-Benzyl-piperidin-1-ylmethyl)-chromen-4-one
CID 2838196
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
3-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11773145
Spiro-chromanone scaffold, 1
CID 44143287
1-(4-Fluorophenyl)-4-(6-methoxyspiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)butan-1-one
CID 10873003

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one (CID 1233903) is 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one is CN1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is DCENWWFAIVPRAC-UHFFFAOYSA-N. 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.
What are the key properties of 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 1233903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).