(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone

C15H16ClNO2 — CID 114241084

IUPAC(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone
SMILESCC1COCCC1C(=O)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H16ClNO2/c1-9-8-19-6-5-10(9)15(18)11-7-17-13-4-2-3-12(16)14(11)13/h2-4,7,9-10,17H,5-6,8H2,1H3
InChIKeyNMGXOBBJBLJEOE-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.68
Rot. Bonds2

About (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone

(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone (PubChem CID 114241084) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone
PubChem CID114241084
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone
SMILESCC1COCCC1C(=O)c1c[nH]c2cccc(Cl)c12
InChIInChI=1S/C15H16ClNO2/c1-9-8-19-6-5-10(9)15(18)11-7-17-13-4-2-3-12(16)14(11)13/h2-4,7,9-10,17H,5-6,8H2,1H3
InChIKeyNMGXOBBJBLJEOE-UHFFFAOYSA-N
XLogP3.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-1H-indol-3-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176610
3-(oxane-3-carbonyl)-1H-indole-4-carbonitrile
CID 107918641
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
1H-indol-3-yl(oxolan-3-yl)methanone
CID 61272977
1-(4-chloro-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 145106752
(4-chloro-1H-indol-3-yl)-phenylmethanone
CID 12030231
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-methyloxolan-3-yl)methanone
CID 113326150
3-(2,6-dichlorophenyl)oxane-4-carboxylic acid
CID 169208325
2-[(2R)-2-(4-chloro-1H-indole-3-carbonyl)pyrrolidin-1-yl]-1-phenylethanone
CID 166692220
(3-methyloxolan-2-yl)-(4-propoxy-1H-indol-3-yl)methanone
CID 83164226
(4-methyl-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84691957
(4,6-dichloro-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 103427955

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone?
The IUPAC name of (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone (CID 114241084) is (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone.
What is the SMILES notation for (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone?
The canonical SMILES for (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone is CC1COCCC1C(=O)c1c[nH]c2cccc(Cl)c12.
What is the InChIKey of (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone?
The InChIKey is NMGXOBBJBLJEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-9-8-19-6-5-10(9)15(18)11-7-17-13-4-2-3-12(16)14(11)13/h2-4,7,9-10,17H,5-6,8H2,1H3.
What are the key properties of (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone?
(4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone has a molecular weight of 277.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-3-yl)-(3-methyloxan-4-yl)methanone is sourced from PubChem (CID 114241084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).