3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone

C14H17NO3 — CID 64592075

IUPAC3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
SMILESO=C(C1OCCc2ccccc21)N1CCOCC1
InChIInChI=1S/C14H17NO3/c16-14(15-6-9-17-10-7-15)13-12-4-2-1-3-11(12)5-8-18-13/h1-4,13H,5-10H2
InChIKeyPJRCLADFQFJNSW-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.16
Rot. Bonds1

About 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone

3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone (PubChem CID 64592075) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
PubChem CID64592075
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone
SMILESO=C(C1OCCc2ccccc21)N1CCOCC1
InChIInChI=1S/C14H17NO3/c16-14(15-6-9-17-10-7-15)13-12-4-2-1-3-11(12)5-8-18-13/h1-4,13H,5-10H2
InChIKeyPJRCLADFQFJNSW-UHFFFAOYSA-N
XLogP1.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 63594980
3,4-dihydro-1H-isochromen-1-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304567
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 119995078
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone;hydrochloride
CID 119995077
(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 79868678
[(1R)-3,4-dihydro-1H-isochromen-1-yl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 124759622
3,4-dihydro-1H-isochromen-1-yl-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 126808039
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanone
CID 124677546
3,4-dihydro-1H-isochromen-1-yl-[4-(5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)piperidin-1-yl]methanone
CID 128883561
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone;hydrochloride
CID 120727729
1-(3,4-dihydro-1H-isochromene-1-carbonyl)piperidine-2-carboxylic acid
CID 60983754
3,4-dihydro-1H-isochromen-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889247

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone?
The IUPAC name of 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone (CID 64592075) is 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone?
The canonical SMILES for 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone is O=C(C1OCCc2ccccc21)N1CCOCC1.
What is the InChIKey of 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone?
The InChIKey is PJRCLADFQFJNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-14(15-6-9-17-10-7-15)13-12-4-2-1-3-11(12)5-8-18-13/h1-4,13H,5-10H2.
What are the key properties of 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone?
3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone has a molecular weight of 247.29 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-1-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 64592075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).