(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one

C18H23NO2 — CID 6000992

IUPAC(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
SMILESCN(C)/C=C1\C(=O)c2ccccc2OC1C1CCCCC1
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+
InChIKeyNRPVCLUVCYXKMQ-NTCAYCPXSA-N
MW285.39 g/mol
LogP3.66
Rot. Bonds2

About (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one

(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one (PubChem CID 6000992) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one.

Molecular Properties

Compound Name(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
PubChem CID6000992
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one
SMILESCN(C)/C=C1\C(=O)c2ccccc2OC1C1CCCCC1
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+
InChIKeyNRPVCLUVCYXKMQ-NTCAYCPXSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
The IUPAC name of (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one (CID 6000992) is (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one.
What is the SMILES notation for (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
The canonical SMILES for (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one is CN(C)/C=C1\C(=O)c2ccccc2OC1C1CCCCC1.
What is the InChIKey of (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
The InChIKey is NRPVCLUVCYXKMQ-NTCAYCPXSA-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+.
What are the key properties of (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one?
(3Z)-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 (3Z)-2-cyclohexyl-3-(dimethylaminomethylidene)chromen-4-one is sourced from PubChem (CID 6000992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).