7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one

C18H19NO5 — CID 5045919

IUPAC7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(O)CNCc3ccco3)ccc12
InChIInChI=1S/C18H19NO5/c1-12-7-18(21)24-17-8-14(4-5-16(12)17)23-11-13(20)9-19-10-15-3-2-6-22-15/h2-8,13,19-20H,9-11H2,1H3
InChIKeyNORROLZUPQYZOJ-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.22
Rot. Bonds7

About 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one

7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one (PubChem CID 5045919) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
PubChem CID5045919
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCC(O)CNCc3ccco3)ccc12
InChIInChI=1S/C18H19NO5/c1-12-7-18(21)24-17-8-14(4-5-16(12)17)23-11-13(20)9-19-10-15-3-2-6-22-15/h2-8,13,19-20H,9-11H2,1H3
InChIKeyNORROLZUPQYZOJ-UHFFFAOYSA-N
XLogP2.22
TPSA84.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
(2R)-1-(furan-2-ylmethylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 7223566
7-[2-hydroxy-3-(thiophen-2-ylmethoxy)propoxy]-4-methylchromen-2-one
CID 109413306
7-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy]-4-methylchromen-2-one
CID 6991902
7-(2-hydroxy-3-pyrrolidin-1-ium-1-ylpropoxy)-4-methylchromen-2-one
CID 4134889
7-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propoxy]-4-methylchromen-2-one
CID 14750948
1-[1-ethyl-5-[(2S)-3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-2-methylindol-3-yl]ethanone
CID 42589657
3-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]benzonitrile
CID 60901515
7-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 4624615
7-[3-(2,6-dimethylmorpholin-4-ium-4-yl)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 4107191
7-[(2S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 7223064
7-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-hydroxypropoxy]-4-methylchromen-2-one
CID 25409816

Frequently Asked Questions

What is the IUPAC name of 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one (CID 5045919) is 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCC(O)CNCc3ccco3)ccc12.
What is the InChIKey of 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one?
The InChIKey is NORROLZUPQYZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-12-7-18(21)24-17-8-14(4-5-16(12)17)23-11-13(20)9-19-10-15-3-2-6-22-15/h2-8,13,19-20H,9-11H2,1H3.
What are the key properties of 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one?
7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one has a molecular weight of 329.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(furan-2-ylmethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one is sourced from PubChem (CID 5045919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).