(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone

C15H18ClNO3 — CID 47168182

IUPAC(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C15H18ClNO3/c1-10-8-19-5-4-17(10)15(18)12-6-11-7-13(16)2-3-14(11)20-9-12/h2-3,7,10,12H,4-6,8-9H2,1H3
InChIKeyKANODOCRSTWHEM-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.14
Rot. Bonds1

About (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 47168182) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID47168182
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C15H18ClNO3/c1-10-8-19-5-4-17(10)15(18)12-6-11-7-13(16)2-3-14(11)20-9-12/h2-3,7,10,12H,4-6,8-9H2,1H3
InChIKeyKANODOCRSTWHEM-UHFFFAOYSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 119631032
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
azepan-1-yl-[1-[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]methanone
CID 8547957
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
[(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 8967651
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 56817132
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 46442105
N'-acetyl-6-chloro-3,4-dihydro-2H-chromene-3-carbohydrazide
CID 47118648
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119542766
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 120657795
(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 56811977

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone (CID 47168182) is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is KANODOCRSTWHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-10-8-19-5-4-17(10)15(18)12-6-11-7-13(16)2-3-14(11)20-9-12/h2-3,7,10,12H,4-6,8-9H2,1H3.
What are the key properties of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone?
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 295.77 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 47168182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).