2-(1-aminoethyl)-3-cyclopropylchromen-4-one

C14H15NO2 — CID 163498713

IUPAC2-(1-aminoethyl)-3-cyclopropylchromen-4-one
SMILESCC(N)c1oc2ccccc2c(=O)c1C1CC1
InChIInChI=1S/C14H15NO2/c1-8(15)14-12(9-6-7-9)13(16)10-4-2-3-5-11(10)17-14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyCSWVRXYKXYDHED-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.69
Rot. Bonds2

About 2-(1-aminoethyl)-3-cyclopropylchromen-4-one

2-(1-aminoethyl)-3-cyclopropylchromen-4-one (PubChem CID 163498713) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(1-aminoethyl)-3-cyclopropylchromen-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-3-cyclopropylchromen-4-one
PubChem CID163498713
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(1-aminoethyl)-3-cyclopropylchromen-4-one
SMILESCC(N)c1oc2ccccc2c(=O)c1C1CC1
InChIInChI=1S/C14H15NO2/c1-8(15)14-12(9-6-7-9)13(16)10-4-2-3-5-11(10)17-14/h2-5,8-9H,6-7,15H2,1H3
InChIKeyCSWVRXYKXYDHED-UHFFFAOYSA-N
XLogP2.69
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-3-methylchromen-2-one
CID 11195874
13-phenyl-2,4,22-trioxapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(14),3(12),5,7,9,16,18,20-octaene-11,15-dione
CID 100831307
2-(dibromomethyl)-3-methylchromen-4-one
CID 642747
2-(1-bromoethyl)-3-(4-fluorophenyl)chromen-4-one
CID 53234761
propane;xanthen-9-one
CID 90876458
bis(9-oxoxanthen-2-yl)iodanium
CID 23034927
(11S,15S)-2,16-dioxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3,5,7-tetraen-9-one
CID 101041214
2-cyclohexyldibenzofuran
CID 163628573
2-methylxanthen-9-one;xanthen-9-one
CID 70546954
1-methyl-1,2,3,4-tetrahydrochromeno[3,4-b]pyridin-5-one
CID 12051006
cyclohexyl-(3-methyl-1-benzofuran-2-yl)methanol
CID 66778623
3-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]azepan-2-one
CID 43782012

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-3-cyclopropylchromen-4-one?
The IUPAC name of 2-(1-aminoethyl)-3-cyclopropylchromen-4-one (CID 163498713) is 2-(1-aminoethyl)-3-cyclopropylchromen-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-3-cyclopropylchromen-4-one?
The canonical SMILES for 2-(1-aminoethyl)-3-cyclopropylchromen-4-one is CC(N)c1oc2ccccc2c(=O)c1C1CC1.
What is the InChIKey of 2-(1-aminoethyl)-3-cyclopropylchromen-4-one?
The InChIKey is CSWVRXYKXYDHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-8(15)14-12(9-6-7-9)13(16)10-4-2-3-5-11(10)17-14/h2-5,8-9H,6-7,15H2,1H3.
What are the key properties of 2-(1-aminoethyl)-3-cyclopropylchromen-4-one?
2-(1-aminoethyl)-3-cyclopropylchromen-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-3-cyclopropylchromen-4-one is sourced from PubChem (CID 163498713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).