3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine

C26H34N2O4 — CID 142189569

IUPAC3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine
SMILESC=CC[C@@H](C)C(=O)NC(C)(C)O.Cc1cc2cnccc2o1.c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H17NO2.C9H10O.C8H7NO/c1-5-6-7(2)8(11)10-9(3,4)12;1-2-6-9-8(4-1)5-3-7-10-9;1-6-4-7-5-9-3-2-8(7)10-6/h5,7,12H,1,6H2,2-4H3,(H,10,11);1-2,4,6H,3,5,7H2;2-5H,1H3/t7-;;/m1../s1
InChIKeyVGNMFHWBCLKOFO-XCUBXKJBSA-N
MW438.57 g/mol
LogP5.19
Rot. Bonds4

About 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine

3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine (PubChem CID 142189569) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine
PubChem CID142189569
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Name3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine
SMILESC=CC[C@@H](C)C(=O)NC(C)(C)O.Cc1cc2cnccc2o1.c1ccc2c(c1)CCCO2
InChIInChI=1S/C9H17NO2.C9H10O.C8H7NO/c1-5-6-7(2)8(11)10-9(3,4)12;1-2-6-9-8(4-1)5-3-7-10-9;1-6-4-7-5-9-3-2-8(7)10-6/h5,7,12H,1,6H2,2-4H3,(H,10,11);1-2,4,6H,3,5,7H2;2-5H,1H3/t7-;;/m1../s1
InChIKeyVGNMFHWBCLKOFO-XCUBXKJBSA-N
XLogP5.19
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methylfuro[3,2-c]pyridine
CID 176973966
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CID 142189582
3,4-dihydro-2H-chromene;ethane
CID 91076984
bis(3,4-dihydro-2H-chromene);pyridine
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CID 175554613
CID 175554613
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CID 144745299
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CID 174740760
strontium;3,4-dihydro-2H-chromene;hydride;oxolead
CID 173450529
2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;ethane;pentakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
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3,4-dihydro-2H-chromene;hydron;iron;lanthanum
CID 175145681

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine?
The IUPAC name of 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine (CID 142189569) is 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine.
What is the SMILES notation for 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine?
The canonical SMILES for 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine is C=CC[C@@H](C)C(=O)NC(C)(C)O.Cc1cc2cnccc2o1.c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine?
The InChIKey is VGNMFHWBCLKOFO-XCUBXKJBSA-N. The full InChI is InChI=1S/C9H17NO2.C9H10O.C8H7NO/c1-5-6-7(2)8(11)10-9(3,4)12;1-2-6-9-8(4-1)5-3-7-10-9;1-6-4-7-5-9-3-2-8(7)10-6/h5,7,12H,1,6H2,2-4H3,(H,10,11);1-2,4,6H,3,5,7H2;2-5H,1H3/t7-;;/m1../s1.
What are the key properties of 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine?
3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine has a molecular weight of 438.57 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromene;(2R)-N-(2-hydroxypropan-2-yl)-2-methylpent-4-enamide;2-methylfuro[3,2-c]pyridine is sourced from PubChem (CID 142189569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).