1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one

C21H26N2O2 — CID 97230967

IUPAC1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCN[C@@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C21H26N2O2/c24-20-10-3-5-14-23(20)15-6-4-13-22-18-16-21(11-7-12-21)25-19-9-2-1-8-17(18)19/h1-3,5,8-10,14,18,22H,4,6-7,11-13,15-16H2/t18-/m1/s1
InChIKeyLHVRKKYXHTVTSK-GOSISDBHSA-N
MW338.45 g/mol
LogP3.66
Rot. Bonds6

About 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one

1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one (PubChem CID 97230967) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one.

Molecular Properties

Compound Name1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one
PubChem CID97230967
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one
SMILESO=c1ccccn1CCCCN[C@@H]1CC2(CCC2)Oc2ccccc21
InChIInChI=1S/C21H26N2O2/c24-20-10-3-5-14-23(20)15-6-4-13-22-18-16-21(11-7-12-21)25-19-9-2-1-8-17(18)19/h1-3,5,8-10,14,18,22H,4,6-7,11-13,15-16H2/t18-/m1/s1
InChIKeyLHVRKKYXHTVTSK-GOSISDBHSA-N
XLogP3.66
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one with MolForge

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Related Compounds

1-[4-[2-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]ethyl]piperazin-1-yl]ethanone
CID 97098382
1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
CID 102553129
1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
CID 99577336
(4S)-N-[(3S)-3-[(S)-methylsulfinyl]butyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97103915
1-[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]butyl]pyridin-2-one
CID 75427745
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
1-[4-[[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]amino]butyl]pyridin-2-one
CID 97230970
(4S)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 97229921
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 75383131
[2-[[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]methyl]phenyl]methanol
CID 97080014
N-[2-(1,3-thiazol-4-yl)ethyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 84589025
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one?
The IUPAC name of 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one (CID 97230967) is 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one.
What is the SMILES notation for 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one?
The canonical SMILES for 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one is O=c1ccccn1CCCCN[C@@H]1CC2(CCC2)Oc2ccccc21.
What is the InChIKey of 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one?
The InChIKey is LHVRKKYXHTVTSK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-20-10-3-5-14-23(20)15-6-4-13-22-18-16-21(11-7-12-21)25-19-9-2-1-8-17(18)19/h1-3,5,8-10,14,18,22H,4,6-7,11-13,15-16H2/t18-/m1/s1.
What are the key properties of 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one?
1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one has a molecular weight of 338.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butyl]pyridin-2-one is sourced from PubChem (CID 97230967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).