6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one

C16H21NO3 — CID 141317763

IUPAC6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(OCCCN3CCCC3)cc21
InChIInChI=1S/C16H21NO3/c18-15-6-11-20-16-5-4-13(12-14(15)16)19-10-3-9-17-7-1-2-8-17/h4-5,12H,1-3,6-11H2
InChIKeySGCXLGGXVWDVQE-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.52
Rot. Bonds5

About 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one

6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one (PubChem CID 141317763) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
PubChem CID141317763
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(OCCCN3CCCC3)cc21
InChIInChI=1S/C16H21NO3/c18-15-6-11-20-16-5-4-13(12-14(15)16)19-10-3-9-17-7-1-2-8-17/h4-5,12H,1-3,6-11H2
InChIKeySGCXLGGXVWDVQE-UHFFFAOYSA-N
XLogP2.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one
CID 141317761
1-[3-(3,4-dihydro-2H-chromen-7-yloxy)propyl]piperidine
CID 141195419
6-[4-(diethylamino)butoxy]-2,3-dihydrochromen-4-one
CID 141195358
7-ethoxy-3,4-dihydro-2H-1-benzoxepin-5-one
CID 43154986
1-[3-[(8-methylidene-6,7-dihydro-5H-naphthalen-2-yl)oxy]propyl]piperidine
CID 142171774
1-[3-[4-(1,3-benzodioxol-5-yl)phenoxy]propyl]piperidine
CID 56657939
2,7-bis[3-(azetidin-1-yl)propoxy]dibenzothiophene 5-oxide
CID 67163008
bis[7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-chromen-4-yl]methanone
CID 174585250
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]butanoic acid
CID 142606333
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
2-butoxy-5-(3-piperidin-1-ylpropoxy)fluoren-9-one
CID 70191517

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one (CID 141317763) is 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one is O=C1CCOc2ccc(OCCCN3CCCC3)cc21.
What is the InChIKey of 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one?
The InChIKey is SGCXLGGXVWDVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15-6-11-20-16-5-4-13(12-14(15)16)19-10-3-9-17-7-1-2-8-17/h4-5,12H,1-3,6-11H2.
What are the key properties of 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one?
6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one has a molecular weight of 275.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 141317763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).