7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one

C18H25NO3 — CID 162659230

IUPAC7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2ccc(OCCNC3CCCC3)cc2O1
InChIInChI=1S/C18H25NO3/c1-18(2)12-16(20)15-8-7-14(11-17(15)22-18)21-10-9-19-13-5-3-4-6-13/h7-8,11,13,19H,3-6,9-10,12H2,1-2H3
InChIKeyMIQYGNNCRWYYAZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.34
Rot. Bonds5

About 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one

7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one (PubChem CID 162659230) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one.

Molecular Properties

Compound Name7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one
PubChem CID162659230
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one
SMILESCC1(C)CC(=O)c2ccc(OCCNC3CCCC3)cc2O1
InChIInChI=1S/C18H25NO3/c1-18(2)12-16(20)15-8-7-14(11-17(15)22-18)21-10-9-19-13-5-3-4-6-13/h7-8,11,13,19H,3-6,9-10,12H2,1-2H3
InChIKeyMIQYGNNCRWYYAZ-UHFFFAOYSA-N
XLogP3.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one?
The IUPAC name of 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one (CID 162659230) is 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one.
What is the SMILES notation for 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one?
The canonical SMILES for 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one is CC1(C)CC(=O)c2ccc(OCCNC3CCCC3)cc2O1.
What is the InChIKey of 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one?
The InChIKey is MIQYGNNCRWYYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2)12-16(20)15-8-7-14(11-17(15)22-18)21-10-9-19-13-5-3-4-6-13/h7-8,11,13,19H,3-6,9-10,12H2,1-2H3.
What are the key properties of 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one?
7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one has a molecular weight of 303.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(cyclopentylamino)ethoxy]-2,2-dimethyl-3H-chromen-4-one is sourced from PubChem (CID 162659230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).