N-ethylethanamine;3-methylchromen-2-one

C14H19NO2 — CID 19758433

IUPACN-ethylethanamine;3-methylchromen-2-one
SMILESCCNCC.Cc1cc2ccccc2oc1=O
InChIInChI=1S/C10H8O2.C4H11N/c1-7-6-8-4-2-3-5-9(8)12-10(7)11;1-3-5-4-2/h2-6H,1H3;5H,3-4H2,1-2H3
InChIKeyPWKRILGVIIBPRK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds2

About N-ethylethanamine;3-methylchromen-2-one

N-ethylethanamine;3-methylchromen-2-one (PubChem CID 19758433) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-ethylethanamine;3-methylchromen-2-one.

Molecular Properties

Compound NameN-ethylethanamine;3-methylchromen-2-one
PubChem CID19758433
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-ethylethanamine;3-methylchromen-2-one
SMILESCCNCC.Cc1cc2ccccc2oc1=O
InChIInChI=1S/C10H8O2.C4H11N/c1-7-6-8-4-2-3-5-9(8)12-10(7)11;1-3-5-4-2/h2-6H,1H3;5H,3-4H2,1-2H3
InChIKeyPWKRILGVIIBPRK-UHFFFAOYSA-N
XLogP2.72
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;3-methylchromen-2-one?
The IUPAC name of N-ethylethanamine;3-methylchromen-2-one (CID 19758433) is N-ethylethanamine;3-methylchromen-2-one.
What is the SMILES notation for N-ethylethanamine;3-methylchromen-2-one?
The canonical SMILES for N-ethylethanamine;3-methylchromen-2-one is CCNCC.Cc1cc2ccccc2oc1=O.
What is the InChIKey of N-ethylethanamine;3-methylchromen-2-one?
The InChIKey is PWKRILGVIIBPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C4H11N/c1-7-6-8-4-2-3-5-9(8)12-10(7)11;1-3-5-4-2/h2-6H,1H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;3-methylchromen-2-one?
N-ethylethanamine;3-methylchromen-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;3-methylchromen-2-one is sourced from PubChem (CID 19758433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).