2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid

C13H17NO3 — CID 152554866

IUPAC2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid
SMILESCCCNC1CCc2cccc(C(=O)O)c2O1
InChIInChI=1S/C13H17NO3/c1-2-8-14-11-7-6-9-4-3-5-10(13(15)16)12(9)17-11/h3-5,11,14H,2,6-8H2,1H3,(H,15,16)
InChIKeyYOGKYPNGLQSNQV-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.04
Rot. Bonds4

About 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid

2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid (PubChem CID 152554866) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid.

Molecular Properties

Compound Name2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid
PubChem CID152554866
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid
SMILESCCCNC1CCc2cccc(C(=O)O)c2O1
InChIInChI=1S/C13H17NO3/c1-2-8-14-11-7-6-9-4-3-5-10(13(15)16)12(9)17-11/h3-5,11,14H,2,6-8H2,1H3,(H,15,16)
InChIKeyYOGKYPNGLQSNQV-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(propylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 15379738
3-(ethylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 105477425
3-oxo-4H-chromene-2,8-dicarboxylic acid
CID 175885816
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2-(1-cyclopropylpropyl)-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 113426703
(2S)-8-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70128617
2,3-dihydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 114343472
8-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 117051012
2-methyl-N-(2-phenylethyl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 163619458
7-hydroxy-8-oxo-6,7-dihydro-5H-naphthalene-1-carboxylic acid
CID 12676397
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105474285

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid?
The IUPAC name of 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid (CID 152554866) is 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid.
What is the SMILES notation for 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid?
The canonical SMILES for 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid is CCCNC1CCc2cccc(C(=O)O)c2O1.
What is the InChIKey of 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid?
The InChIKey is YOGKYPNGLQSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-8-14-11-7-6-9-4-3-5-10(13(15)16)12(9)17-11/h3-5,11,14H,2,6-8H2,1H3,(H,15,16).
What are the key properties of 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid?
2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-3,4-dihydro-2H-chromene-8-carboxylic acid is sourced from PubChem (CID 152554866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).