(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one

C18H23NO2 — CID 902832

IUPAC(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
SMILESCN(C)/C=C1/C(=O)c2ccccc2O[C@@H]1C1CCCCC1
InChIInChI=1S/C18H23NO2/c1-19(2)12-15-17(20)14-10-6-7-11-16(14)21-18(15)13-8-4-3-5-9-13/h6-7,10-13,18H,3-5,8-9H2,1-2H3/b15-12-/t18-/m1/s1
InChIKeyNRPVCLUVCYXKMQ-WTQUMQLASA-N
MW285.39 g/mol
LogP3.66
Rot. Bonds2

About (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one

(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one (PubChem CID 902832) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one.

Molecular Properties

Compound Name(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
PubChem CID902832
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
SMILESCN(C)/C=C1/C(=O)c2ccccc2O[C@@H]1C1CCCCC1
InChIInChI=1S/C18H23NO2/c1-19(2)12-15-17(20)14-10-6-7-11-16(14)21-18(15)13-8-4-3-5-9-13/h6-7,10-13,18H,3-5,8-9H2,1-2H3/b15-12-/t18-/m1/s1
InChIKeyNRPVCLUVCYXKMQ-WTQUMQLASA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
CID 22305560
(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
CID 6000992
2-(dimethylaminomethylidene)-3-phenyl-3H-inden-1-one
CID 4586381
(4aS,9aR)-1,2,3,4,4a,9a-hexahydroxanthen-9-one
CID 10726796
3-(dimethylaminomethylidene)-2-methylthiochromen-4-one
CID 54498331
(3E)-3-(cyclohexylmethylidene)chromen-4-one
CID 135076028
3a-methyl-1,2,3,10a-tetrahydrocyclopenta[b][1]benzoxepine-4,5-dione
CID 10489622
(3E)-3-[(4-chlorophenyl)methylidene]-2-piperidin-1-ylchromen-4-one
CID 10981096
2-(ethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 70565657
(5S)-1,3-dicyclohexyl-5-[(2R)-3-oxo-1-benzofuran-2-yl]imidazolidine-2,4-dione
CID 102097440
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
1,2,2a,8a-tetrahydrocyclobuta[b]chromen-8-one
CID 86154026

Frequently Asked Questions

What is the IUPAC name of (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
The IUPAC name of (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one (CID 902832) is (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one.
What is the SMILES notation for (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
The canonical SMILES for (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one is CN(C)/C=C1/C(=O)c2ccccc2O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
The InChIKey is NRPVCLUVCYXKMQ-WTQUMQLASA-N. The full InChI is InChI=1S/C18H23NO2/c1-19(2)12-15-17(20)14-10-6-7-11-16(14)21-18(15)13-8-4-3-5-9-13/h6-7,10-13,18H,3-5,8-9H2,1-2H3/b15-12-/t18-/m1/s1.
What are the key properties of (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
(2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one has a molecular weight of 285.39 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one is sourced from PubChem (CID 902832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).