ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate

C15H21NO3 — CID 54918588

IUPACethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
SMILESCCCNC1(C(=O)OCC)CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-3-10-16-15(14(17)18-4-2)9-11-19-13-8-6-5-7-12(13)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyYAQGUOPKDMSPSO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.23
Rot. Bonds5

About ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate

ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate (PubChem CID 54918588) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
PubChem CID54918588
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate
SMILESCCCNC1(C(=O)OCC)CCOc2ccccc21
InChIInChI=1S/C15H21NO3/c1-3-10-16-15(14(17)18-4-2)9-11-19-13-8-6-5-7-12(13)15/h5-8,16H,3-4,9-11H2,1-2H3
InChIKeyYAQGUOPKDMSPSO-UHFFFAOYSA-N
XLogP2.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate (CID 54918588) is ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate is CCCNC1(C(=O)OCC)CCOc2ccccc21.
What is the InChIKey of ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
The InChIKey is YAQGUOPKDMSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-10-16-15(14(17)18-4-2)9-11-19-13-8-6-5-7-12(13)15/h5-8,16H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate?
ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(propylamino)-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 54918588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).