7-aminochromen-2-one;ethane

C15H25NO2 — CID 166456004

IUPAC7-aminochromen-2-one;ethane
SMILESCC.CC.CC.Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C9H7NO2.3C2H6/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;3*1-2/h1-5H,10H2;3*1-2H3
InChIKeyHOLVCXIHIDMQIG-UHFFFAOYSA-N
MW251.37 g/mol
LogP4.45
Rot. Bonds

About 7-aminochromen-2-one;ethane

7-aminochromen-2-one;ethane (PubChem CID 166456004) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 7-aminochromen-2-one;ethane.

Molecular Properties

Compound Name7-aminochromen-2-one;ethane
PubChem CID166456004
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name7-aminochromen-2-one;ethane
SMILESCC.CC.CC.Nc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C9H7NO2.3C2H6/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;3*1-2/h1-5H,10H2;3*1-2H3
InChIKeyHOLVCXIHIDMQIG-UHFFFAOYSA-N
XLogP4.45
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-aminochromen-2-one;ethoxyethane
CID 174580965
7-aminochromen-2-one;(2S)-2-aminopropanoic acid
CID 87395737
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967
7-(4-methylphenyl)chromen-2-one
CID 50994676
chromen-2-one;copper
CID 175033656
7-sulfanylchromen-2-one;hydrobromide
CID 173228168
6-amino-7-(2-aminoethyl)chromen-2-one
CID 11615385
7-prop-1-ynoxychromen-2-one
CID 125495534
acetic acid;7-hydroxychromen-2-one
CID 88810969
6,7-dimethoxychromen-2-one
CID 159563577
7-(trichloromethyl)chromen-2-one
CID 90255684
6,7-diethylchromen-2-one
CID 90255356

Frequently Asked Questions

What is the IUPAC name of 7-aminochromen-2-one;ethane?
The IUPAC name of 7-aminochromen-2-one;ethane (CID 166456004) is 7-aminochromen-2-one;ethane.
What is the SMILES notation for 7-aminochromen-2-one;ethane?
The canonical SMILES for 7-aminochromen-2-one;ethane is CC.CC.CC.Nc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-aminochromen-2-one;ethane?
The InChIKey is HOLVCXIHIDMQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.3C2H6/c10-7-3-1-6-2-4-9(11)12-8(6)5-7;3*1-2/h1-5H,10H2;3*1-2H3.
What are the key properties of 7-aminochromen-2-one;ethane?
7-aminochromen-2-one;ethane has a molecular weight of 251.37 g/mol, XLogP of 4.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-aminochromen-2-one;ethane is sourced from PubChem (CID 166456004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).