(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one

C15H19NO3 — CID 97355462

IUPAC(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)OC[C@H](CN1CCOCC1)C2=O
InChIInChI=1S/C15H19NO3/c1-11-2-3-13-14(8-11)19-10-12(15(13)17)9-16-4-6-18-7-5-16/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m0/s1
InChIKeyWTVMFSKUEMWZNV-LBPRGKRZSA-N
MW261.32 g/mol
LogP1.52
Rot. Bonds2

About (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one

(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one (PubChem CID 97355462) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
PubChem CID97355462
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)OC[C@H](CN1CCOCC1)C2=O
InChIInChI=1S/C15H19NO3/c1-11-2-3-13-14(8-11)19-10-12(15(13)17)9-16-4-6-18-7-5-16/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m0/s1
InChIKeyWTVMFSKUEMWZNV-LBPRGKRZSA-N
XLogP1.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(butylaminomethyl)-7-methyl-2,3-dihydrochromen-4-one
CID 117067249
6-methyl-3-propyl-2,3-dihydrochromen-4-one
CID 145003242
7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride
CID 21228801
8-(morpholin-4-ylmethyl)-2,3,4,8,9,10-hexahydrobenzo[h][1,5]benzodioxepin-7-one
CID 3944688
4-methyl-9-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-8,9-dihydropyrano[2,3-f]chromene-2,10-dione
CID 3061195
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
(3R)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,3-dihydrochromen-4-one
CID 2117541
ethane;7-fluoro-3-morpholin-4-yl-2,3-dihydrochromen-4-one
CID 170958990
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
5-methyl-2-morpholin-4-ylisoindole-1,3-dione
CID 70638046
2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride
CID 53422915
1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one
CID 86151351

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
The IUPAC name of (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one (CID 97355462) is (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)OC[C@H](CN1CCOCC1)C2=O.
What is the InChIKey of (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
The InChIKey is WTVMFSKUEMWZNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-2-3-13-14(8-11)19-10-12(15(13)17)9-16-4-6-18-7-5-16/h2-3,8,12H,4-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one?
(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 97355462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).