1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid

C14H17NO3 — CID 43803284

IUPAC1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCc2ccccc21
InChIInChI=1S/C14H17NO3/c16-13(17)14(15-7-9-18-10-8-15)6-5-11-3-1-2-4-12(11)14/h1-4H,5-10H2,(H,16,17)
InChIKeyQNRKTRUKVLWPNB-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.24
Rot. Bonds2

About 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid

1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid (PubChem CID 43803284) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
PubChem CID43803284
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(N2CCOCC2)CCc2ccccc21
InChIInChI=1S/C14H17NO3/c16-13(17)14(15-7-9-18-10-8-15)6-5-11-3-1-2-4-12(11)14/h1-4H,5-10H2,(H,16,17)
InChIKeyQNRKTRUKVLWPNB-UHFFFAOYSA-N
XLogP1.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-morpholin-4-yl-2,3-dihydroinden-1-yl)acetic acid
CID 64528521
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915
7-methoxy-1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 79235750
4-piperidin-1-yl-1,3-dihydroisochromene-4-carboxylic acid
CID 107150090
1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43802963
4-fluoro-1-(4-methylpiperazin-1-yl)-2,3-dihydroindene-1-carboxylic acid
CID 83069177
3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
CID 84795983
(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 69209514
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-anilino-2,3-dihydroindene-1-carboxylic acid
CID 12740130
1-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 22367227
N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 69208256

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid (CID 43803284) is 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(N2CCOCC2)CCc2ccccc21.
What is the InChIKey of 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is QNRKTRUKVLWPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(17)14(15-7-9-18-10-8-15)6-5-11-3-1-2-4-12(11)14/h1-4H,5-10H2,(H,16,17).
What are the key properties of 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid?
1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 43803284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).