1-(5-chloro-1H-indol-2-yl)heptan-1-one

C15H18ClNO — CID 66777278

IUPAC1-(5-chloro-1H-indol-2-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H18ClNO/c1-2-3-4-5-6-15(18)14-10-11-9-12(16)7-8-13(11)17-14/h7-10,17H,2-6H2,1H3
InChIKeyQXPLOEWATQSSMY-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.97
Rot. Bonds6

About 1-(5-chloro-1H-indol-2-yl)heptan-1-one

1-(5-chloro-1H-indol-2-yl)heptan-1-one (PubChem CID 66777278) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-2-yl)heptan-1-one.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-2-yl)heptan-1-one
PubChem CID66777278
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name1-(5-chloro-1H-indol-2-yl)heptan-1-one
SMILESCCCCCCC(=O)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H18ClNO/c1-2-3-4-5-6-15(18)14-10-11-9-12(16)7-8-13(11)17-14/h7-10,17H,2-6H2,1H3
InChIKeyQXPLOEWATQSSMY-UHFFFAOYSA-N
XLogP4.97
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-1H-indol-2-yl)-5-(7-chloro-2-methyl-1H-indol-3-yl)pentan-1-one
CID 91516728
1-(6-bromo-1H-indol-2-yl)hexan-1-one
CID 158524896
5-chloro-N-[(2S,3R)-3-hydroxy-1-oxo-1-(tridecylamino)butan-2-yl]-1H-indole-2-carboxamide
CID 130405471
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(5-chloro-1H-indol-3-yl)octan-1-one
CID 63878518
1-(5-chloro-2-hydroxyphenyl)octan-1-one
CID 3917734
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
methyl 4-[(5-chloro-1H-indole-2-carbonyl)amino]butanoate
CID 134034219
5-chloro-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4897321
1-(6-chloro-1H-indol-3-yl)heptan-1-one
CID 114752147

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-2-yl)heptan-1-one?
The IUPAC name of 1-(5-chloro-1H-indol-2-yl)heptan-1-one (CID 66777278) is 1-(5-chloro-1H-indol-2-yl)heptan-1-one.
What is the SMILES notation for 1-(5-chloro-1H-indol-2-yl)heptan-1-one?
The canonical SMILES for 1-(5-chloro-1H-indol-2-yl)heptan-1-one is CCCCCCC(=O)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 1-(5-chloro-1H-indol-2-yl)heptan-1-one?
The InChIKey is QXPLOEWATQSSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-3-4-5-6-15(18)14-10-11-9-12(16)7-8-13(11)17-14/h7-10,17H,2-6H2,1H3.
What are the key properties of 1-(5-chloro-1H-indol-2-yl)heptan-1-one?
1-(5-chloro-1H-indol-2-yl)heptan-1-one has a molecular weight of 263.77 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-2-yl)heptan-1-one is sourced from PubChem (CID 66777278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).