7-amino-3-decyl-4-methylchromen-2-one

C20H29NO2 — CID 122188441

IUPAC7-amino-3-decyl-4-methylchromen-2-one
SMILESCCCCCCCCCCc1c(C)c2ccc(N)cc2oc1=O
InChIInChI=1S/C20H29NO2/c1-3-4-5-6-7-8-9-10-11-18-15(2)17-13-12-16(21)14-19(17)23-20(18)22/h12-14H,3-11,21H2,1-2H3
InChIKeyNLLULXQTZVADPO-UHFFFAOYSA-N
MW315.46 g/mol
LogP5.37
Rot. Bonds9

About 7-amino-3-decyl-4-methylchromen-2-one

7-amino-3-decyl-4-methylchromen-2-one (PubChem CID 122188441) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 7-amino-3-decyl-4-methylchromen-2-one.

Molecular Properties

Compound Name7-amino-3-decyl-4-methylchromen-2-one
PubChem CID122188441
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name7-amino-3-decyl-4-methylchromen-2-one
SMILESCCCCCCCCCCc1c(C)c2ccc(N)cc2oc1=O
InChIInChI=1S/C20H29NO2/c1-3-4-5-6-7-8-9-10-11-18-15(2)17-13-12-16(21)14-19(17)23-20(18)22/h12-14H,3-11,21H2,1-2H3
InChIKeyNLLULXQTZVADPO-UHFFFAOYSA-N
XLogP5.37
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.46
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-decyl-4-methylchromen-2-one?
The IUPAC name of 7-amino-3-decyl-4-methylchromen-2-one (CID 122188441) is 7-amino-3-decyl-4-methylchromen-2-one.
What is the SMILES notation for 7-amino-3-decyl-4-methylchromen-2-one?
The canonical SMILES for 7-amino-3-decyl-4-methylchromen-2-one is CCCCCCCCCCc1c(C)c2ccc(N)cc2oc1=O.
What is the InChIKey of 7-amino-3-decyl-4-methylchromen-2-one?
The InChIKey is NLLULXQTZVADPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-3-4-5-6-7-8-9-10-11-18-15(2)17-13-12-16(21)14-19(17)23-20(18)22/h12-14H,3-11,21H2,1-2H3.
What are the key properties of 7-amino-3-decyl-4-methylchromen-2-one?
7-amino-3-decyl-4-methylchromen-2-one has a molecular weight of 315.46 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-decyl-4-methylchromen-2-one is sourced from PubChem (CID 122188441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).